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1217631-74-7 | Carbamic acid, N-(3S)-3-pyrrolidinyl-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1217631-74-7 Catalog No: AG0015VA MDL No:MFCD09749851
Product Description
Catalog Number:
AG0015VA
Chemical Name:
Carbamic acid, N-(3S)-3-pyrrolidinyl-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1217631-74-7
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
MDL Number:
MFCD09749851
IUPAC Name:
benzyl N-[(3S)-pyrrolidin-3-yl]carbamate;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c15-12(14-11-6-7-13-8-11)16-9-10-4-2-1-3-5-10;/h1-5,11,13H,6-9H2,(H,14,15);1H/t11-;/m0./s1
InChI Key:
NTYLNBDQPCIAMI-MERQFXBCSA-N
SMILES:
O=C(N[C@@H]1CNCC1)OCc1ccccc1.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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