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100836-71-3 | Carbamic acid, [2-(1-pyrrolidinyl)ethyl]-, phenylmethyl ester, monohydrochloride (9CI)
CAS No: 100836-71-3 Catalog No: AG0002YZ MDL No:
Product Description
Catalog Number:
AG0002YZ
Chemical Name:
Carbamic acid, [2-(1-pyrrolidinyl)ethyl]-, phenylmethyl ester, monohydrochloride (9CI)
CAS Number:
100836-71-3
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
IUPAC Name:
benzyl N-(2-pyrrolidin-1-ylethyl)carbamate;chloride
InChI:
InChI=1S/C14H20N2O2.ClH/c17-14(15-8-11-16-9-4-5-10-16)18-12-13-6-2-1-3-7-13;/h1-3,6-7H,4-5,8-12H2,(H,15,17);1H/p-1
InChI Key:
PSJXLOORDRNUJU-UHFFFAOYSA-M
SMILES:
O=C(OCc1ccccc1)NCCN1CCCC1.Cl
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.776g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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