2-(Aminomethyl)-2-methyl-1,3-propanediamine

HCID 4526530CAS 15995-42-3

Substructure search Find similar structures

Basic information

Standard SMILES: CC(CN)(CN)CN
InChIKey: UGDSCHVVUPHIFM-UHFFFAOYSA-N
Molecular formula: C5H15N3
Average molar mass: 117.19 g/mol
Monoisotopic mass: 117.12659748

Names & identifiers

Preferred name: 2-(Aminomethyl)-2-methyl-1,3-propanediamine
IUPAC: 2-(aminomethyl)-2-methylpropane-1,3-diamine
English name: 2-(Aminomethyl)-2-methyl-1 3-propane-
Molecular formula: C5H15N3
Molecular weight: 117.19

Names & synonyms

15995-42-32-(Aminomethyl)-2-methyl-1,3-propanediamineDTXSID60403952RefChem:84559DTXCID30354806621-004-42-(aminomethyl)-2-methylpropane-1,3-diamine1,1,1-Tris(aminomethyl)ethane1,3-Propanediamine, 2-(aminomethyl)-2-methyl-SCHEMBL712414SCHEMBL7718952UGDSCHVVUPHIFM-UHFFFAOYSA-N

Show more names

Ethylidynetris(methanamine)α,α',α''-Ethylidynetri(methanamine)α,α',α''-Ethylidynetris(methanamine)2-(Aminomethyl)-2-methyl-1 3-propane-2-Methyl-2-(aminomethyl)-1,3-propanediamine2-(Aminomethyl)-2-methyl-1,3-propanediaminepurum2-(AMINOMETHYL)-2-METHYL-1,3-PROPANEDIAMINE PURUM 95%

MFCD00801047AKOS006342350SY486712EN300-1425622Q154101662-(Aminomethyl)-2-methyl-1,3-propanediamine, >=95.0% (GC)

Database identifiers

CAS: 15995-42-3
PubChem CID: 4526530
DTXSID: DTXSID60403952
EC Number: 621-004-4
Nikkaji: J379.576D

Properties

Computed structural properties

XLogP: -1.9
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 50.4

Physicochemical properties

Boiling point: 264.1 · 264.1±8.0 °C(Predicted)
Density: 0.959 · 0.959±0.06 g/cm3(Predicted)
pka: 10.11 · 10.11±0.15(Predicted)
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
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501