N,3,5-Trimethylaniline

CAT: 0127-OR1072669-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072669-01Size:100 mg

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CAS Number

13342-20-6

MDL Number

MFCD00087938

Purity

95%

Smiles

CC1=CC(C)=CC(NC)=C1

Chemical Information

N,3,5-Trimethylaniline

CAS Number	13342-20-6
PubChem CID	12377759
IUPAC Name	N,3,5-trimethylaniline
Molecular Formula	C9H13N
Molecular Weight	135.21
XLogP	2.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	90

SMILES

CC1=CC(=CC(=C1)NC)C

InChI

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

InChIKey

NZKFECDSBHQDCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13342-20-6

CID: 12377759

Formula: C9H13N

MW: 135.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.21
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	135.104799419
Monoisotopic Mass	135.104799419
Topological Polar Surface Area	12 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
OR1096336-01	3-bromo-N, N,5-trimethylaniline
OR95427	N, N,3-Trimethylaniline
OR1048090-01	N,2,5-Trimethylaniline
OR55349-01	3,4,5-Trimethylaniline
OR93009-01	2,3,5-Trimethylaniline
OR1080598-01	5-bromo-N, N,2-trimethylaniline
OR1055694	5-Methoxy-N, N,2-trimethylaniline
OR1098260	3-Bromo-N, N,4-trimethylaniline
OR5949	4-Isopropyl-N, N,3-trimethylaniline
OR1011472-01	4-Bromo-N, N,3-Trimethylaniline

Catalog	Name
sc-355775	N,3,5-trimethylaniline hydrochloride
459994-01	N, N,3-Trimethylaniline
022434	N,3,4-Trimethylaniline
TRC-T797293-50MG	3,4,5-Trimethylaniline
FT138459	2,3,5-trimethylaniline
sc-355768A	N,2,5-trimethylaniline hydrochloride
sc-356899A	4-Isopropyl-N, N,3-trimethylaniline
sc-485123	4-Bromo-N, N,3-trimethylaniline
HCA67844-01	4- (Aminomethyl) -N, N,3-trimethylaniline
TXB38852-01	N,2,3-Trimethylaniline hydrochloride