AG00FD4R

69980-77-4 | [3-(3,4,5-Trimethyl-1h-pyrazol-1-yl)propyl]amine

AG00FD4R

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CAS Number	69980-77-4
Catalog Number	AG00FD4R(AGN-PC-00N3O6)
Chemical Name	[3-(3,4,5-Trimethyl-1h-pyrazol-1-yl)propyl]amine
IUPAC Name	3-(3,4,5-trimethylpyrazol-1-yl)propan-1-amine
InChI	InChI=1S/C9H17N3/c1-7-8(2)11-12(9(7)3)6-4-5-10/h4-6,10H2,1-3H3
InChI Key	YRUTVJNXEQREHB-UHFFFAOYSA-N
MDL Number	MFCD12827514
Molecular Formula	C9H17N3
Molecular Weight	167.2514
SMILES	CC1=NN(CCCN)C(C)=C1C
Synonyms	69980-77-4, 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propan-1-amine, [3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propyl]amine, 3-(3,4,5-TRIMETHYL-1H-PYRAZOL-1-YL)-1-PROPANAMINE, DTXSID90543991, ALBB-012436, 8375AE, BBL015935, MFCD12827514, STL170055, ZINC40457300, AKOS005173644, MCULE-8794241051, 3-(trimethylpyrazol-1-yl)propan-1-amine, AB0157702, AJ-103359, FT-0683594, Y-7284, I05-1492, C9H17N3,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.142g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.256g/mol
Monoisotopic Mass	167.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.8A^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-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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