2,3,4-Trimethylaniline

CAT: 0127-OR76739-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR76739-01Size:100 mg

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CAS Number

1467-35-2

MDL Number

MFCD00130021

Purity

98%

Smiles

C=1(C(=C(C)C=CC1N)C)C

Chemical Information

2,3,4-Trimethylaniline

CAS Number	1467-35-2
PubChem CID	73844
IUPAC Name	2,3,4-trimethylaniline
Molecular Formula	C9H13N
Molecular Weight	135.21
XLogP	2.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	111

SMILES

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

InChI

InChI=1S/C9H13N/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3

InChIKey

RLIPQCDHACHPJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1467-35-2

CID: 73844

Formula: C9H13N

MW: 135.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.21
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	135.104799419
Monoisotopic Mass	135.104799419
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	111
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