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1312161-63-9 | Carbamic acid, N-[(3S)-3-morpholinylmethyl]-, phenylmethyl ester
CAS No: 1312161-63-9 Catalog No: AG000VQL MDL No:
Product Description
Catalog Number:
AG000VQL
Chemical Name:
Carbamic acid, N-[(3S)-3-morpholinylmethyl]-, phenylmethyl ester
CAS Number:
1312161-63-9
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
benzyl N-[[(3S)-morpholin-3-yl]methyl]carbamate
InChI:
InChI=1S/C13H18N2O3/c16-13(15-8-12-10-17-7-6-14-12)18-9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,15,16)/t12-/m0/s1
InChI Key:
HEWQDUYMSVAELN-LBPRGKRZSA-N
SMILES:
O=C(OCc1ccccc1)NC[C@H]1COCCN1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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