4, N, N-Trimethylaniline

CAT: 0024-sc-238996ASize: 500 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-238996ASize:500 mL

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CAS Number

99-97-8

Chemical Information

Dimethyl-p-toluidine

N,N-Dimethyl-p-toluidine can cause cancer according to The National Toxicology Program.

CAS Number	99-97-8
PubChem CID	7471
IUPAC Name	N,N,4-trimethylaniline
Molecular Formula	C9H13N
Molecular Weight	135.21
XLogP	2.8
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	90

SMILES

CC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3

InChIKey

GYVGXEWAOAAJEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-97-8

CID: 7471

Formula: C9H13N

MW: 135.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.21
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	135.104799419
Monoisotopic Mass	135.104799419
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-331438	N,2,4-Trimethylaniline
sc-474811	N,3,4-Trimethylaniline
sc-485123	4-Bromo-N, N,3-trimethylaniline
sc-356899A	4-Isopropyl-N, N,3-trimethylaniline
sc-261783A	4-Bromo-2, N, N-trimethylaniline
sc-261783	4-Bromo-2, N, N-trimethylaniline
sc-356899	4-Isopropyl-N, N,3-trimethylaniline
sc-355774A	N,3,4-trimethylaniline hydrochloride
sc-355774	N,3,4-trimethylaniline hydrochloride
sc-330004	N- (4-Chlorobenzyl) -2,4,6-trimethylaniline

Catalog	Name
459994-01	N, N,3-Trimethylaniline
OR80805-01	N, n,2-Trimethylaniline
022434	N,3,4-Trimethylaniline
022433	N,2,4-Trimethylaniline
OR1048090-01	N,2,5-Trimethylaniline
OR303237-01	N,2,6-Trimethylaniline
OR1072669-01	N,3,5-Trimethylaniline
OR1096193	4-bromo-N, N,2-trimethylaniline
OR3518	2-Isopropyl-N, N,6-trimethylaniline
HCA67844-01	4- (Aminomethyl) -N, N,3-trimethylaniline