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1001401-60-0 | (5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester
CAS No: 1001401-60-0 Catalog No: AG00012K MDL No:MFCD22420241
Product Description
Catalog Number:
AG00012K
Chemical Name:
(5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester
CAS Number:
1001401-60-0
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD22420241
IUPAC Name:
benzyl (5R)-5-methyl-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-12-7-9-16(10-8-15-12)14(17)18-11-13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3/t12-/m1/s1
InChI Key:
DQUGXUOXPVSJFN-GFCCVEGCSA-N
SMILES:
C[C@H]1NCCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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