AG001IL8

14389-13-0 | 5-propyl-1H-1,2,3,4-tetrazole

AG001IL8

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CAS Number	14389-13-0
Catalog Number	AG001IL8(AGN-PC-0O2QQM)
Chemical Name	5-propyl-1H-1,2,3,4-tetrazole
IUPAC Name	5-propyl-2H-tetrazole
InChI	InChI=1S/C4H8N4/c1-2-3-4-5-7-8-6-4/h2-3H2,1H3,(H,5,6,7,8)
InChI Key	JAHCQVVOKAFXQU-UHFFFAOYSA-N
MDL Number	MFCD11156013
Molecular Formula	C4H8N4
Molecular Weight	112.1331
NSC Number	11106
SMILES	CCCC1=NN=NN1
Synonyms	5-propyl-2h-tetrazole, 14389-13-0, 5-propyl-1H-1,2,3,4-tetrazole, 5-propyl-1H-tetrazole, 5-propyltetrazole, 2H-Tetrazole, 5-propyl-, propyltetrazole, NSC11106, AC1Q4XKC, 2H-Tetrazole,5-propyl-, AC1L5CK8, SCHEMBL523444, 1,2,4,5-tetra-azolylpropan, CTK0I4231, DTXSID20279034, JAHCQVVOKAFXQU-UHFFFAOYSA-N, ZINC5561383, MFCD11156013, NSC-11106, AKOS000261954, MCULE-9213757720, NE56736, CS-0062127, EN300-73534, Z1259155957, AR-1G9451, CID223441, 17042-24-9,

Complexity	65.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.075g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	112.136g/mol
Monoisotopic Mass	112.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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