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1179361-55-7 | Carbamic acid, N-(2-pyrrolidinylmethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1179361-55-7 Catalog No: AG000I3J MDL No:MFCD11101162
Product Description
Catalog Number:
AG000I3J
Chemical Name:
Carbamic acid, N-(2-pyrrolidinylmethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1179361-55-7
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
MDL Number:
MFCD11101162
IUPAC Name:
benzyl N-(pyrrolidin-2-ylmethyl)carbamate;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12,14H,4,7-10H2,(H,15,16);1H
InChI Key:
AEFMEOUFLZOLHQ-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC1CCCN1.Cl
Properties
Complexity:
240
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:
3
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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