AG005KD4

71182-59-7 | 2-Isobutylaniline

AG005KD4

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CAS Number	71182-59-7
Catalog Number	AG005KD4(AGN-PC-0KNX5R)
Chemical Name	2-Isobutylaniline
EC Number	275-256-1
IUPAC Name	2-(2-methylpropyl)aniline
InChI	InChI=1S/C10H15N/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3
InChI Key	UCDCWSBXWOGCKR-UHFFFAOYSA-N
MDL Number	MFCD00130034
Molecular Formula	C10H15N
Molecular Weight	149.2328
SMILES	CC(CC1=C(N)C=CC=C1)C
Synonyms	2-Isobutylaniline, 71182-59-7, 2-(2-methylpropyl)aniline, o-isobutylaniline, EINECS 275-256-1, AC1MI5VX, SCHEMBL270111, CTK5D3656, Benzenamine,2-(2-methylpropyl)-, UCDCWSBXWOGCKR-UHFFFAOYSA-N, KS-000009ZU, 5195AJ, MFCD00130034, ZINC33605873, AKOS013203620, MCULE-6312588330, NE57925, CS-12055, SY036357, FT-0769630, MFCD00130034 (95%), I01-9350, C10H15N, C10-H15-N, CID3018083,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.12g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.237g/mol
Monoisotopic Mass	149.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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