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1253790-03-2 | 1-Piperazinecarboxylic acid, 3-(2-methylpropyl)-, phenylmethyl ester, (3S)-
CAS No: 1253790-03-2 Catalog No: AG000NKY MDL No:
Product Description
Catalog Number:
AG000NKY
Chemical Name:
1-Piperazinecarboxylic acid, 3-(2-methylpropyl)-, phenylmethyl ester, (3S)-
CAS Number:
1253790-03-2
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
benzyl (3S)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C16H24N2O2.ClH/c1-13(2)10-15-11-18(9-8-17-15)16(19)20-12-14-6-4-3-5-7-14;/h3-7,13,15,17H,8-12H2,1-2H3;1H/t15-;/m0./s1
InChI Key:
SGVQHOAZADBVAX-RSAXXLAASA-N
SMILES:
CC(C[C@@H]1NCCN(C1)C(=O)OCc1ccccc1)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
312.16g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.838g/mol
Monoisotopic Mass:
312.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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