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119020-00-7 | 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 119020-00-7 Catalog No: AG000P2U MDL No:MFCD11101348
Product Description
Catalog Number:
AG000P2U
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
119020-00-7
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
MDL Number:
MFCD11101348
IUPAC Name:
benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c14-9-12-7-4-8-15(12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H
InChI Key:
ONODQZLASNRARN-UHFFFAOYSA-N
SMILES:
NCC1CCCN1C(=O)OCc1ccccc1.Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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