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168828-15-7 | Carbamic acid, (3-amino-1-methylpropyl)-, phenylmethyl ester, (S)- (9CI)
CAS No: 168828-15-7 Catalog No: AG001YBB MDL No:MFCD06804539
Product Description
Catalog Number:
AG001YBB
Chemical Name:
Carbamic acid, (3-amino-1-methylpropyl)-, phenylmethyl ester, (S)- (9CI)
CAS Number:
168828-15-7
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD06804539
IUPAC Name:
benzyl N-[(2S)-4-aminobutan-2-yl]carbamate
InChI:
InChI=1S/C12H18N2O2/c1-10(7-8-13)14-12(15)16-9-11-5-3-2-4-6-11/h2-6,10H,7-9,13H2,1H3,(H,14,15)/t10-/m0/s1
InChI Key:
WOKDIYCOYIKOQP-JTQLQIEISA-N
SMILES:
NCC[C@@H](NC(=O)OCc1ccccc1)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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