2-Propanol, 1,1'-(methylimino)bis-

HCID 95655CAS 4402-30-6

Substructure search Find similar structures

Basic information

Standard SMILES: CC(O)CN(C)CC(C)O
InChIKey: XKQMKMVTDKYWOX-UHFFFAOYSA-N
Molecular formula: C7H17NO2
Average molar mass: 147.22 g/mol
Monoisotopic mass: 147.12592878

Names & identifiers

Preferred name: 2-Propanol, 1,1'-(methylimino)bis-
IUPAC: 1-[2-hydroxypropyl(methyl)amino]propan-2-ol
English name: N-Methyldiisopropanolamine
Molecular formula: C7H17NO2
Molecular weight: 147.22

Names & synonyms

n-methyldiisopropanolamine1,1'-(Methylimino)dipropan-2-ol2-Propanol, 1,1'-(methylimino)bis-N-Methyl diisopropanolamineEINECS 224-536-1DTXSID80883550EC 224-536-1NSC 27467RefChem:478385DTXCID501023072224-536-14402-30-6

Show more names

MethyldiisopropanolamineMethyldiisopropanolamin1,1’-(methylimino)bis-2-propano1,1’-(methylimino)bis-2-Propanol1,1'-(N-Methylimino)di-2-propanolN-METHYLDIISOPROPANOLAMINE (BOPA)1,1'-(Methylazanediyl)bis(propan-2-ol)

1-[2-hydroxypropyl(methyl)amino]propan-2-olbis(2-hydroxypropyl)methylamineMFCD00035944NSC27467SCHEMBL78076SCHEMBL170062494-methyl-4-azaheptane-2,6-diolALBB-028938

Database identifiers

CAS: 4402-30-6
PubChem CID: 95655
DTXSID: DTXSID80883550
EC Number: 224-536-1
Nikkaji: J111.312G

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 43.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 77.7

Physicochemical properties

Boiling point: 103 · 103-104 °C(Press: 6 Torr)
Density: 0.9568 g/cm3 · 0.9568 g/cm3
vapor pressure: 1.5 Pa · 1.5Pa at 20℃
pka: 14.55 · 14.55±0.20(Predicted)
Water Solubility: 1000 g/L · 1000g/L at 20℃
LogP: -0.03 at · -0.03 at 25℃
EPA Substance Registry System: 2 · 2-Propanol, 1,1'-(methylimino)bis- (4402-30-6)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.2% (5 of 118) of reports.

Danger

H314 (95.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 118 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 2-Propanol, 1,1'-(methylimino)bis-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 01-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10833

N-Methyldiisopropanolamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (95.8%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
REACH Registrations: Active
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501