CAS 36343-05-2 N-Methylheptylamine (HCID 93190)

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Basic information

CAS: 36343-05-2
Standard SMILES: CCCCCCCNC
InChIKey: LTGYRKOQQQWWAF-UHFFFAOYSA-N
Molecular formula: C8H19N
Average molar mass: 129.24 g/mol
Monoisotopic mass: 129.15174961

Names & identifiers

Preferred name: N-Methylheptylamine
IUPAC: N-methylheptan-1-amine
English name: N-HEPTYLMETHYLAMINE
Molecular formula: C8H19N
Molecular weight: 129.24

Names & synonyms

36343-05-2N-MethylheptylamineEINECS 252-987-4DTXSID50189879NSC 96468RefChem:830719DTXCID60112370252-987-4N-HeptylmethylamineN-methylheptan-1-amine1-Heptanamine, N-methyl-heptyl(methyl)amine

Show more names

N-n-HeptylmethylamineN-METHYL-N-HEPTYLAMINE1-Heptanamine,N-methyl-N-HEPTYLMETHYLAMINE 97+%

N-Methyl-1-heptanamineheptylmethylaminemethyl heptylaminemethylheptyl-amineMFCD000399802L63T88NSKNSC-96468AKOS005302431

Database identifiers

CAS: 36343-05-2
PubChem CID: 93190
DTXSID: DTXSID50189879
UNII: 2L63T88NSK
EC Number: 252-987-4
Nikkaji: J332.277G

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 9
Formal charge: 0
Complexity: 43.8

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -66 °C · -66°C (estimate)
Boiling point: 53 · 53-54 °C6 mm Hg(lit.)
Density: 0.768 g/mL · 0.768 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.423
Flash point: 52 ℃ · 52℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid
pka: 10.92 · 10.92±0.10(Predicted)
color: Colorless
BRN: 906719 · 906719
Henry's Law Constant: 6.2 · 6.2×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C8H19N/c1-3-4-5-6-7-8-9-2/h9H,3-8H2,1-2H3
InChIKey: LTGYRKOQQQWWAF-UHFFFAOYSA-N

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, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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: 10-34
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2734 8/PG 2
risk_code: 10-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H226-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