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51229-78-8 | 1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride
CAS No: 51229-78-8 Catalog No: AG003D2W MDL No:MFCD00151463
Product Description
Catalog Number:
AG003D2W
Chemical Name:
1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride
CAS Number:
51229-78-8
Molecular Formula:
C9H16Cl2N4
Molecular Weight:
251.1561
MDL Number:
MFCD00151463
IUPAC Name:
1-[(Z)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride
InChI:
InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1-;
InChI Key:
UKHVLWKBNNSRRR-ODZAUARKSA-M
SMILES:
Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3.[Cl-]
UNII:
LIT014L4RH
NSC Number:
172971
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
250.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.155g/mol
Monoisotopic Mass:
250.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Positive patch test reactions in older individuals: retrospective analysis from the North American Contact Dermatitis Group, 1994-2008. | Journal of the American Academy of Dermatology 20120201 |
| Patch testing with formaldehyde and formaldehyde-releasers: multicentre study in Spain (2005-2009). | Contact dermatitis 20111101 |
| Non-fragrance allergens in specific cosmetic products. | Contact dermatitis 20111101 |
| Contact sensitization to quaternium-15 acting as a warning sign for curare allergy. | Contact dermatitis 20110801 |
| Relationship between formaldehyde and quaternium-15 contact allergy. Influence of strength of patch test reactions. | Contact dermatitis 20101001 |
| Frequency of sensitization to common allergens: comparison between Europe and the USA. | Contact dermatitis 20100601 |
| Final report of the amended safety assessment of Quaternium-15 as used in cosmetics. | International journal of toxicology 20100501 |
| Positive concomitant test reactions to allergens in the standard patch test series. | International journal of dermatology 20100501 |
| Formaldehyde-releasers in cosmetics in the USA and in Europe. | Contact dermatitis 20100401 |
| Twenty-five years quaternium-15 in the European baseline series: does it deserve its place there? | Contact dermatitis 20100401 |
| Temporal trends of preservative allergy in Denmark (1985-2008). | Contact dermatitis 20100201 |
| Formaldehyde-releasers in cosmetics: relationship to formaldehyde contact allergy. Part 1. Characterization, frequency and relevance of sensitization, and frequency of use in cosmetics. | Contact dermatitis 20100101 |
| Formaldehyde-releasers in cosmetics: relationship to formaldehyde contact allergy. Part 2. Patch test relationship to formaldehyde contact allergy, experimental provocation tests, amount of formaldehyde released, and assessment of risk to consumers allergic to formaldehyde. | Contact dermatitis 20100101 |
| Hand dermatitis: a focus on allergic contact dermatitis to biocides. | Dermatologic clinics 20090701 |
| [Contact allergy to quaternium-15]. | Annales de dermatologie et de venereologie 20090401 |
| Prevalence of patch test results from 1970 to 2002 in a multi-centre population in North America (NACDG). | Contact dermatitis 20080201 |
| Contact allergy to pentylene glycol. | Dermatitis : contact, atopic, occupational, drug 20070601 |
| Allergic contact dermatitis to quaternium 15 in a moisturizing lotion. | The Australasian journal of dermatology 20051101 |
| Occupational allergic contact dermatitis from quaternium-15 in an electroencephalography skin preparation gel. | Contact dermatitis 20010101 |
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