AG003EDI

496841-88-4 | 6-Aminomethyl-1H-benzotriazole

AG003EDI

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CAS Number	496841-88-4
Catalog Number	AG003EDI(AGN-PC-0OB0Q8)
Chemical Name	6-Aminomethyl-1H-benzotriazole
IUPAC Name	2H-benzotriazol-5-ylmethanamine
InChI	InChI=1S/C7H8N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4,8H2,(H,9,10,11)
InChI Key	HFJXZTKRHRFTPK-UHFFFAOYSA-N
MDL Number	MFCD18071016
Molecular Formula	C7H8N4
Molecular Weight	148.1652
SMILES	NCC1=CC=C2N=NNC2=C1
Synonyms	1H-Benzotriazole-6-methanamine, 496841-88-4, 1H-1,2,3-benzotriazol-5-ylmethanamine, 2H-benzotriazol-5-ylmethanamine, 1H-Benzotriazole-5-methanamine, SCHEMBL263592, 6-Aminomethyl-1H-benzotriazole, SCHEMBL12686295, CTK8E1668, KS-000009HU, 5128AJ, ZINC32600326, AKOS012626390, AKOS022807455, TRA0044200, AS-32445, SY011665, AB0062612, DB-071033, TC-306725, FT-0768829, MFCD18071016 (97%), Z-4123, (1H-benzo[d][1,2,3]triazol-5-yl)methanamine, F1907-0754, AC1O4SG6, C7H8N4, CID6413195, 1186663-54-6,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.074896g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	148.17g/mol
Monoisotopic Mass	148.074896g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.6Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3259

Certificate of Analysis

Lot Number