AG00DBUP

498532-32-4 | 1,3-Cyclohexanediamine, dihydrochloride, (1R,3S)-rel-

AG00DBUP

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CAS Number	498532-32-4
Catalog Number	AG00DBUP(AGN-PC-0S52VA)
Chemical Name	1,3-Cyclohexanediamine, dihydrochloride, (1R,3S)-rel-
IUPAC Name	(1R,3S)-cyclohexane-1,3-diamine;dihydrochloride
InChI	InChI=1S/C6H14N2.2ClH/c7-5-2-1-3-6(8)4-5;;/h5-6H,1-4,7-8H2;2*1H/t5-,6+;;
InChI Key	ABDGJCKNZHDDLV-RUTFAPCESA-N
MDL Number	MFCD01667588
Molecular Formula	C6H16Cl2N2
Molecular Weight	187.1106
SMILES	N[C@H]1C[C@@H](N)CCC1.[H]Cl.[H]Cl
Synonyms	(1R,3S)-Cyclohexane-1,3-diamine dihydrochloride, 498532-32-4, cis-cyclohexane-1,3-diamine dihydrochloride, (1R,3S)-CYCLOHEXANE-1,3-DIAMINE 2HCL, 1,3-Cyclohexanediamine, dihydrochloride, (1R,3S)-rel-, AK124383, SCHEMBL2984413, DTXSID30738400, MFCD18384719, AKOS016011756, DS-4580, KS-000004Z0, AB0069473, AX8246727, CS-0047588, (1R,3S)-Cyclohexane-1,3-diamine--hydrogen chloride (1/2), 28294-92-0, 332099-31-7,

Complexity	64.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	186.069g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	187.108g/mol
Monoisotopic Mass	186.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number