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1135288-77-5 | Phenol, 4-(1-aminopropyl)-, hydrochloride (1:1)
CAS No: 1135288-77-5 Catalog No: AG0008WV MDL No:MFCD11226487
Product Description
Catalog Number:
AG0008WV
Chemical Name:
Phenol, 4-(1-aminopropyl)-, hydrochloride (1:1)
CAS Number:
1135288-77-5
Molecular Formula:
C9H14ClNO
Molecular Weight:
187.6666
MDL Number:
MFCD11226487
IUPAC Name:
4-(1-aminopropyl)phenol;hydrochloride
InChI:
InChI=1S/C9H13NO.ClH/c1-2-9(10)7-3-5-8(11)6-4-7;/h3-6,9,11H,2,10H2,1H3;1H
InChI Key:
RBZSZQKNTDZIHA-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)O)N.Cl
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.667g/mol
Monoisotopic Mass:
187.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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