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1217807-36-7 | Carbamic acid, N-[(2S)-2-piperidinylmethyl]-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1217807-36-7 Catalog No: AG0015YY MDL No:MFCD11112269
Product Description
Catalog Number:
AG0015YY
Chemical Name:
Carbamic acid, N-[(2S)-2-piperidinylmethyl]-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1217807-36-7
Molecular Formula:
C14H21ClN2O2
Molecular Weight:
284.7817
MDL Number:
MFCD11112269
IUPAC Name:
benzyl N-[[(2S)-piperidin-2-yl]methyl]carbamate;hydrochloride
InChI:
InChI=1S/C14H20N2O2.ClH/c17-14(16-10-13-8-4-5-9-15-13)18-11-12-6-2-1-3-7-12;/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17);1H/t13-;/m0./s1
InChI Key:
XRCZWJKQJZIRHD-ZOWNYOTGSA-N
SMILES:
O=C(OCc1ccccc1)NC[C@@H]1CCCCN1.Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
284.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.784g/mol
Monoisotopic Mass:
284.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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