200,000+ products from a single source!
sales@angenechem.com
114557-20-9 | Carbamic acid, (3-aminomethylphenyl)-, 4-hydroxybutyl ester (9CI)
CAS No: 114557-20-9 Catalog No: AG000EO7 MDL No:
Product Description
Catalog Number:
AG000EO7
Chemical Name:
Carbamic acid, (3-aminomethylphenyl)-, 4-hydroxybutyl ester (9CI)
CAS Number:
114557-20-9
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
IUPAC Name:
4-hydroxybutyl N-[3-(aminomethyl)phenyl]carbamate
InChI:
InChI=1S/C12H18N2O3/c13-9-10-4-3-5-11(8-10)14-12(16)17-7-2-1-6-15/h3-5,8,15H,1-2,6-7,9,13H2,(H,14,16)
InChI Key:
GKAFFGMNFRAYHT-UHFFFAOYSA-N
SMILES:
OCCCCOC(=O)Nc1cccc(c1)CN
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.