AG00C3WD

22777-05-5 | 5-Methyl-[1,4]diazepane

AG00C3WD

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CAS Number	22777-05-5
Catalog Number	AG00C3WD(AGN-PC-01XQGG)
Chemical Name	5-Methyl-[1,4]diazepane
IUPAC Name	5-methyl-1,4-diazepane
InChI	InChI=1S/C6H14N2/c1-6-2-3-7-4-5-8-6/h6-8H,2-5H2,1H3
InChI Key	PCSCFJLGJHWKJL-UHFFFAOYSA-N
MDL Number	MFCD09607985
Molecular Formula	C6H14N2
Molecular Weight	114.1888
SMILES	CC1NCCNCC1
Synonyms	5-Methyl-[1,4]diazepane, 22777-05-5, 5-methyl-1,4-diazepane, (R)-5-Methyl-1,4-diazepane, 1H-1,4-DIAZEPINE, HEXAHYDRO-5-METHYL-, 2055849-06-2, (S)-5-Methyl-1,4-diazepane, 5-Methyl[1,4]diazepane, HEXAHYDRO-5-METHYL-1H-1,4-DIAZEPINE, ACMC-209x75, SCHEMBL2459842, CTK4F0157, DTXSID30594982, PCSCFJLGJHWKJL-UHFFFAOYSA-N, 2055849-07-3, ANW-47295, CM-094, MFCD09607985, AKOS006283531, GS-3849, MCULE-6114208492, PB17623, RP19159, RTC-071816, SB19883, 1H-1,4-Diazepine,hexahydro-5-methyl-, AK-34218, BR-34218, SC-52803, SY033449, AB0023568, TC-071816, 4CH-006659, FT-0647486, ST24033053, W4646, KS-00000067, MFCD09607985 (95%), A25868, M67202, S-7128, 777M055, J-509895, J-517718, I14-13171, 3-azido-7-hydroxycoumarin, C6H14N2, 1-Heptanesulfonic acid sodium salt, 2-METHYL-[1,4]DIAZEPANE, ACN-031765, 65974-17-6, 673-66-5,

Complexity	63.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.116g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	114.192g/mol
Monoisotopic Mass	114.116g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	24.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2735

Certificate of Analysis

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