AG001SMG

1620097-06-4 | 1H-1,4-Diazepine, hexahydro-5-methyl-1-(phenylmethyl)-, (5R)-

AG001SMG

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1620097-06-4
Catalog Number	AG001SMG(AGN-PC-0WG3FG)
Chemical Name	1H-1,4-Diazepine, hexahydro-5-methyl-1-(phenylmethyl)-, (5R)-
IUPAC Name	(5R)-1-benzyl-5-methyl-1,4-diazepane
InChI	InChI=1S/C13H20N2/c1-12-7-9-15(10-8-14-12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12-/m1/s1
InChI Key	PQJUKENLCKCHQX-GFCCVEGCSA-N
MDL Number	MFCD29075976
Molecular Formula	C13H20N2
Molecular Weight	204.3113
SMILES	C[C@H]1NCCN(CC2=CC=CC=C2)CC1
Synonyms	(R)-1-benzyl-5-methyl-1,4-diazepane, 1620097-06-4, (5R)-1-Benzyl-5-methyl-1,4-diazepane, SCHEMBL17763473, PQJUKENLCKCHQX-GFCCVEGCSA-N, ZINC22921689, DS-19251, CS-0053139, Suvorexant (MK-4305) intermediate, ACN-037969,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	204.162649g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.31g/mol
Monoisotopic Mass	204.162649g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	15.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number