AG00CLMH

3663-24-9 | 5-butyl-1H-benzotriazole

AG00CLMH

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CAS Number	3663-24-9
Catalog Number	AG00CLMH(AGN-PC-0O9D6B)
Chemical Name	5-butyl-1H-benzotriazole
IUPAC Name	5-butyl-2H-benzotriazole
InChI	InChI=1S/C10H13N3/c1-2-3-4-8-5-6-9-10(7-8)12-13-11-9/h5-7H,2-4H2,1H3,(H,11,12,13)
InChI Key	ZCFMGIGLXOKMJC-UHFFFAOYSA-N
MDL Number	MFCD22581692
Molecular Formula	C10H13N3
Molecular Weight	175.2303
SMILES	CCCCC1=CC=C(NN=N2)C2=C1
Synonyms	5-Butyl-1H-benzo[d][1,2,3]triazole, 3663-24-9, 5-Butyl-1H-benzotriazole, ZCFMGIGLXOKMJC-UHFFFAOYSA-N, AK142663, 5-butylbenzotriazole, 5-butyl-2H-benzotriazole, 6-butyl-1H-benzotriazole, SCHEMBL242265, KS-00000RX0, MFCD22581692, ZINC80730897, 1H-1,2,3-benzotriazole, 6-butyl-, AKOS022175153, DS-6521, FCH2294571, AJ-123991, AX8282478, ST24044563, Y1905, 1H-Benzotriazole, 5-butyl-, C10H13N3,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.111g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.235g/mol
Monoisotopic Mass	175.111g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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