| Identification | Back Directory | [Name]
(R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone | [CAS]
1030377-32-2 | [Synonyms]
Suvorexant Impurity 4
(7R)-7-Methyl-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane
(R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
Methanone, [(7R)-hexahydro-7-methyl-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]- | [Molecular Formula]
C16H21N5O | [MDL Number]
MFCD22419984 | [MOL File]
1030377-32-2.mol | [Molecular Weight]
299.37 |
| Chemical Properties | Back Directory | [Boiling point ]
522.0±60.0 °C(Predicted) | [density ]
1.26±0.1 g/cm3(Predicted) | [pka]
9.98±0.40(Predicted) | [InChI]
InChI=1S/C16H21N5O/c1-12-3-4-15(21-18-7-8-19-21)14(11-12)16(22)20-10-9-17-6-5-13(20)2/h3-4,7-8,11,13,17H,5-6,9-10H2,1-2H3/t13-/m1/s1 | [InChIKey]
FURCQDWTOXYTNN-CYBMUJFWSA-N | [SMILES]
C(N1[C@H](C)CCNCC1)(C1=CC(C)=CC=C1N1N=CC=N1)=O |
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