4-Butyl-2-methylaniline

CAT: 0572-TRC-B693290-1GSize: 1 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-B693290-1GSize:1 g

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CAS Number

72072-16-3

Synonyms

4-Butyl-2-methylbenzenamine; 2-Methyl-4-butylaniline;

Hazard Statement

Toxic if swallowed; UN number: UN2810; Packing Group: III

Smiles

CCCCc1ccc(N)c(C)c1

Molecular Formula

C11H17N

Molecular Weight

163.26

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4-Butyl-2-methylaniline

CAS Number	72072-16-3
PubChem CID	577772
IUPAC Name	4-butyl-2-methylaniline
Molecular Formula	C11H17N
Molecular Weight	163.26
XLogP	3.2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	122

SMILES

CCCCC1=CC(=C(C=C1)N)C

InChI

InChI=1S/C11H17N/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8H,3-5,12H2,1-2H3

InChIKey

JTXOXRXZCAMPHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72072-16-3

CID: 577772

Formula: C11H17N

MW: 163.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	163.26
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	163.136099547
Monoisotopic Mass	163.136099547
Topological Polar Surface Area	26 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	122
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

Related Products

Catalog	Name
TRC-B808293-50G	2-Bromo-4-methylaniline
TRC-M219770-250MG	2-Methoxy-4-methylaniline
TRC-M263620-5G	4-Methoxy-2-methylaniline
TRC-M219770-25MG	2-Methoxy-4-methylaniline
TRC-B808293-10G	2-Bromo-4-methylaniline
TRC-M219770-50MG	2-Methoxy-4-methylaniline
TRC-B808293-5G	2-Bromo-4-methylaniline
TRC-C368310-5G	2-Chloro-4-Methylaniline
TRC-C349800-5G	4-Chloro-2-methylaniline
TRC-C374480-250MG	4-Chloro-2-methylaniline Hydrochloride

Alternative Products

Catalog	Name
OR28851	4-butyl-2-methylaniline
OR27510	4-butyl-2-methylaniline hydrochloride
JH243123	4-tert-butyl-2-methylaniline
sc-306252	2-[4- (sec-Butyl) phenoxy]-4-methylaniline
OR016114	4-Butyl-N- (2-chloroacetyl) -2-methylaniline
CDA59490-01	5-Butyl-2-methylaniline
sc-306256	2-[4- (sec-Butyl) phenoxy]-5-methylaniline
AFC47243-01	4-Butyl-N-methylaniline hydrochloride
FAA27959-01	4-tert-Butyl-N-methylaniline
OR28163	2,4-di (tert-butyl) -6-methylaniline

4-Butyl-2-methylaniline

Chemical Information

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