AG00D8DH

46047-18-1 | 4-(1H-1,2,3,4-tetrazol-5-yl)aniline

AG00D8DH

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CAS Number	46047-18-1
Catalog Number	AG00D8DH(AGN-PC-0OAJ1G)
Chemical Name	4-(1H-1,2,3,4-tetrazol-5-yl)aniline
IUPAC Name	4-(2H-tetrazol-5-yl)aniline
InChI	InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
InChI Key	KTPONJJKCBOJCQ-UHFFFAOYSA-N
MDL Number	MFCD01219548
Molecular Formula	C7H7N5
Molecular Weight	161.1640
SMILES	NC1=CC=C(C2=NNN=N2)C=C1
Synonyms	46047-18-1, 4-(2H-tetrazol-5-yl)aniline, 4-(1H-tetrazol-5-yl)aniline, 4-(1H-Tetrazol-5-yl)-phenylamine, 4-(2H-1,2,3,4-tetrazol-5-yl)aniline, 4-(2H-TETRAZOL-5-YL)-PHENYLAMINE, 4-(1H-1,2,3,4-tetrazol-5-yl)aniline, 5-(4-AMINOPHENYL)-1H-TETRAZOLE, BAS 05295542, MFCD01219548, Benzenamine, 4-(1H-tetrazol-5-yl)-, Benzenamine, 4-(2H-tetrazol-5-yl)-, 4-(1H-1,2,3,4-tetraazol-5-yl)phenylamine, AC1LL5XN, 4-tetrazol-5-yl-aniline, 4-(5-Tetrazolyl)aniline, ACMC-1APV6, AC1Q51VD, 4-(tetrazol-5-yl)-aniline, SCHEMBL264036, 5,4-(amino-phenyl) tetrazole, AMOT0188, 4-(1h-tetraazol-5-yl)aniline, 4-(1H-Tetrazole-5-yl)aniline, 4-(1H-tetrazol-5-yl) aniline, CTK4I9120, DTXSID20360113, 5-(4-aminophenyl)-2H-tetrazole, KTPONJJKCBOJCQ-UHFFFAOYSA-N, 5-(4-amino-phenyl)-1H-tetrazole, 5-(4-AMINOPHENYL)TETRAZOLE, ALBB-005577, KS-000003DJ, BBL013568, SBB027292, STK500282, ZINC19779350, [4-(1H-tetrazol-5-yl)phenyl]amine, AKOS000104775, AKOS001867992, MCULE-5836725770, PB18539, 5-(4-AMINO-PHENYL)-2H-TETRAZOL, AM803931, BS-13653, SY035907, 4-(1H-Tetrazol-5-yl)aniline, AldrichCPR, AB0073204, TC-169390, TR-042547, BB 0238431, CS-0035674, FT-0677261, ST24042868, ST50339973, EN300-63875, MFCD01219548 (97%), C-8152, Z-7209, I05-919, Z993967122, CID1079216,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.07g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.168g/mol
Monoisotopic Mass	161.07g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	80.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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