CAS 4747-21-1 N-Methylisopropylamine (HCID 78485)

Names & identifiers

Preferred name: N-Methylisopropylamine
IUPAC: N-methylpropan-2-amine
English name: N-Isopropylmethylamine
Molecular formula: C4H11N
Molecular weight: 73.14

Names & synonyms

N-Isopropylmethylamine4747-21-1N-MethylisopropylamineMethylisopropylamineIsopropylmethylamine2-MethylaminopropaneN-Isopropyl-N-methylamineEthylamine, N,1-dimethyl-N-methyl-2-propanamineN-methyl-N-isopropylamineJ3OL90426Gmethyl(1-methylethyl)amine

Show more names

MIPAN-methylpropan-2-amineN-Isopropylmethylamiisopropyl-methyl-amine

NSC 1065EINECS 225-266-7N,1-DimethylethylamineNSC-1065EC 225-266-72-(METHYLAMINO)PROPANEISOPROPYLAMINE, N-METHYL-DTXSID80871098

Database identifiers

CAS: 4747-21-1
PubChem CID: 78485
DTXSID: DTXSID80871098
UNII: J3OL90426G
EC Number: 225-266-7
Nikkaji: J121.770D

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 17.6

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -55.1 °C · -55.1°C (estimate)
Boiling point: 50 · 50-53 °C (lit.)
Density: 0.702 g/mL · 0.702 g/mL at 25 °C (lit.)
vapor pressure: 4.15 psi · 4.15 psi ( 20 °C)
refractive index: 20 · n20/D 1.384(lit.)
Flash point: 25 °F · −25 °F
storage temp.: Refrigerator, Under Inert Atmosphere
solubility: Soluble in chloroform, DMSO, methanol.
form: Liquid
pka: 10.76 · 10.76±0.10(Predicted)
Specific Gravity: 0.702 · 0.702
color: Colorless
Sensitive: Air Sensitive
BRN: 1730877 · 1730877
Henry's Law Constant: 1.6 · 1.6×10-1 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012)
Stability: Volatile
InChI: 1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
InChIKey: XHFGWHUWQXTGAT-UHFFFAOYSA-N
SMILES: CNC(C)C
LogP: 0.52 at · 0.52 at 25℃
CAS DataBase Reference: 4747 · 4747-21-1(CAS DataBase Reference)
FDA UNII: 3 OL90426G · J3OL90426G
NIST Chemistry Reference: 2 · 2-Propanamine, N-methyl-(4747-21-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles
Hazard Codes: F,C
Risk Statements: 11 · 11-34
Safety Statements: 16 · 16-26-36/37/39-45
RIDADR: 2734 · UN 2734 8/PG 1
WGK Germany: 3 · 3
F: 9 · 9-23
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29211990 · 29211990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 OralAcute · Acute Tox. 2 OralAcute Tox. 3 InhalationEye Dam. 1Flam. Liq. 2Skin Corr. 1A
REACH Registrations: Active
Excepted Quantities: Not Permitted as Excepted Quantity

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 16-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10466

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

F: 9-23
PPE: Faceshields, Gloves, Goggles
wgk: 3
ridadr: UN 2734 8/PG 1
hs_code: 29211990
risk_code: 11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H314
Excepted Quantities: Not Permitted as Excepted Quantity
REACH Registrations: Active
Hazard Classifications: Acute Tox. 2 OralAcute Tox. 3 InhalationEye Dam. 1Flam. Liq. 2Skin Corr. 1A
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesN-Isopropylmethylamine is used in the generation of in situ micelles having distinct sizes, by sequential self-assembly of a series of stimuli-responsive amphiphilic block copolymers, prepared by reversible addition-fragmentation chain transfer (RAFT) polymerization. It is suitable for use in the synthesis of novel 5-ethoxy-N,N-dialkyl-[α,α,β,β-H4]-tryptamines and their [α,α,β,β,β-D4]-counterparts following the Speeter and Anthony procedure.

General DescriptionN-Isopropylmethylamine is an unsymmetrical amine. Pd/C-catalyzed oxidative cross double carbonylation of N-isopropylmethylamine with alcohols has been reported.