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1217751-87-5 | Carbamic acid, N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, phenylmethyl ester, hydrochloride (1:1), rel-
CAS No: 1217751-87-5 Catalog No: AG0015YN MDL No:MFCD11101169
Product Description
Catalog Number:
AG0015YN
Chemical Name:
Carbamic acid, N-[(3R,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-, phenylmethyl ester, hydrochloride (1:1), rel-
CAS Number:
1217751-87-5
MDL Number:
MFCD11101169
IUPAC Name:
benzyl N-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate;hydrochloride
InChI:
InChI=1S/C13H18N2O3.ClH/c16-8-12-6-11(7-14-12)15-13(17)18-9-10-4-2-1-3-5-10;/h1-5,11-12,14,16H,6-9H2,(H,15,17);1H/t11-,12+;/m0./s1
InChI Key:
JLVANPPTBNGFRW-ZVWHLABXSA-N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
286.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.756g/mol
Monoisotopic Mass:
286.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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