AG0039AC

638-09-5 | 1,3,5-triamineBenzene,hydrochloride(1:3)

AG0039AC

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CAS Number	638-09-5
Catalog Number	AG0039AC(AGN-PC-0TA1U0)
Chemical Name	1,3,5-triamineBenzene,hydrochloride(1:3)
IUPAC Name	benzene-1,3,5-triamine;trihydrochloride
InChI	InChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H
InChI Key	GSPBVFMIOSWQJB-UHFFFAOYSA-N
MDL Number	MFCD00035496
Molecular Formula	C6H12Cl3N3
Molecular Weight	232.5386
SMILES	Cl.Cl.Cl.C1(=CC(=CC(=C1)N)N)N
Synonyms	638-09-5, Benzene-1,3,5-triamine trihydrochloride, 1,3,5-Triaminobenzene trihydrochloride, 1,3,5-Benzenetriamine, trihydrochloride, 1,3,5-TRIAMINOBENZENE 3HCl, BENZENE-1,3,5-TRIAMINE 3HCL, 1,3,5-triamineBenzene,hydrochloride(1:3), 1,,3,5-Triaminobenzene trihydrochloride, AG-205/25005648, C6H12Cl3N3, CTK7D5881, DTXSID90598648, BCP04790, BCP09952, KS-000000BF, ANW-60909, AKOS007930156, AS05402, CHM0017201, CM11525, MCULE-8051210577, AK-78924, AS-41353, SC-68604, AB0049205, AX8218310, TC-149654, TX-012794, 4CH-003446, FT-0083621, FT-0699876, ST24046009, Z1965, 1,3,5-TRIAMINEBENZENE TRIHYDROCHLORIDE, W-1387, Benzene-1,3,5-triamine--hydrogen chloride (1/3), 1,3,5-Triaminobenzene, 1,3,5-Benzenetriamine, 108-72-5,

Complexity	63.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.01g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	232.533g/mol
Monoisotopic Mass	231.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	78.1A^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

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