AG003K6E

1107620-72-3 | 4-(Boc-aminomethyl)pyrazole

AG003K6E

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CAS Number	1107620-72-3
Catalog Number	AG003K6E(AGN-PC-0WA9H8)
Chemical Name	4-(Boc-aminomethyl)pyrazole
IUPAC Name	tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate
InChI	InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChI Key	QHQQGFZVUMTRDH-UHFFFAOYSA-N
MDL Number	MFCD12820298
Molecular Formula	C9H15N3O2
Molecular Weight	197.2343
SMILES	O=C(NCC1=CNN=C1)OC(C)(C)C
Synonyms	4-(Boc-aminomethyl)pyrazole, 1107620-72-3, tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate, AC1Q1NE8, SCHEMBL18632887, KS-00000DR9, 5994AJ, MFCD12820298, ZINC38006714, AKOS008144090, MCULE-4774675823, AS-32472, SY021293, EN300-65557, Z-4608, MFCD12820298 (95+%), C9H15N3O2,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.238g/mol
Monoisotopic Mass	197.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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