CAS 35161-70-7 N-Methylhexylamine (HCID 37079)

Names & identifiers

Preferred name: N-Methylhexylamine
IUPAC: N-methylhexan-1-amine
English name: N-Methylhexylamine
Molecular formula: C7H17N
Molecular weight: 115.22

Names & synonyms

N-Methylhexylamine35161-70-7Hexylmethylamine1-Hexanamine, N-methyl-HEXYLAMINE, N-METHYL-Hexanamine, N-methyl-L24KKS9ZHCBRN 1731685EINECS 252-410-6n-Hexyl-N-methylamine4-04-00-00710 (Beilstein Handbook Reference)N-METHYL-1-AMINOHEXANE

Show more names

MHAn-methyl-hexylaminn-methyl-hexanaminMethyl-n-hexylaminehexylamine,N-methyl-

DTXSID80188658RefChem:830721DTXCID40111149252-410-6N-methylhexan-1-aminen-Hexylmethylaminehexyl(methyl)amineN-n-Hexylmethylamine

Database identifiers

CAS: 35161-70-7
PubChem CID: 37079
DTXSID: DTXSID80188658
UNII: L24KKS9ZHC
EC Number: 252-410-6
Nikkaji: J40.628G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 35.4

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -38 °C · -38°C
Boiling point: 140 · 140-142 °C (lit.)
Density: 0.76 g/mL · 0.76 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.416(lit.)
Flash point: 73 °F · 73 °F
storage temp.: 2 · 2-8°C, protect from light
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Oil
pka: 10.93 · 10.93±0.10(Predicted)
color: Colourless
BRN: 1731685 · 1731685
Henry's Law Constant: 8.3 · 8.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Stability: Volatile
InChI: 1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
InChIKey: XJINZNWPEQMMBV-UHFFFAOYSA-N
SMILES: CCCCCCNC
EWG's Food Scores: 1 · 1
FDA UNII: 24 KKS9ZHC · L24KKS9ZHC
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H302-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-22-34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2734 · UN 2734 8/PG 2
WGK Germany: 3 · 3
RTECS: 5400000 · MQ5400000
F: 10 · 10
HazardClass: 3.1 · 3.1
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 OralFlam · Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

F: 10
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: MQ5400000
ridadr: UN 2734 8/PG 2
risk_code: 10-22-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H226-H302-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications · 2 items

UsesN-Hexylmethylamine may be used in the synthesis of dialkyldithiocarbamato cadmium complexes Cd[S2CNRR′]2.

General DescriptionN-Hexylmethylamine is an acyclic secondary amine. Ruthenium-catalyzed reaction of N-hexylmethylamine with styrene has been reported. Transition metal-catalyzed intermolecular hydroamination of N-hexylmethylamine with 2-vinylnaphthalene has been reported.