200,000+ products from a single source!
sales@angenechem.com
1014645-87-4 | Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1)
CAS No: 1014645-87-4 Catalog No: AG0004JC MDL No:MFCD11616336
Product Description
Catalog Number:
AG0004JC
Chemical Name:
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
1014645-87-4
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
MDL Number:
MFCD11616336
IUPAC Name:
methyl 4-(1-aminocyclopropyl)benzoate;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11;/h2-5H,6-7,12H2,1H3;1H
InChI Key:
SZUAJCIGBDCCPA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1(N)CC1.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.