N-(3-Aminopropyl)-N-methylaniline

HCID 577774

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53485-07-7
Standard SMILES: CN(CCCN)c1ccccc1
InChIKey: WGHBKYWUOOANEX-UHFFFAOYSA-N
Molecular formula: C10H16N2
Average molar mass: 164.25 g/mol
Monoisotopic mass: 164.13134851

Names & identifiers

Preferred name: N-(3-Aminopropyl)-N-methylaniline
IUPAC: N'-methyl-N'-phenylpropane-1,3-diamine
English name: N-(3-Aminopropyl)-N-methylaniline
Molecular formula: C10H16N2
Molecular weight: 164.25

Names & synonyms

N-(3-Aminopropyl)-N-methylaniline53485-07-7DTXSID20342015RefChem:826183DTXCID40293095672-758-6N1-methyl-N1-phenylpropane-1,3-diamineN'-methyl-N'-phenylpropane-1,3-diamine1,3-Propanediamine, N-methyl-N-phenyl-MFCD00191602N-methyl-N-phenylpropane-1,3-diamineSCHEMBL544087

Show more names

AKOS BC-2002RARECHEM AL BW 0401Aminopropylmethylaniline3-aminopropyl-ethyl-phenyl-amine3-aminopropyl-methyl-phenyl-aminen-(3-aminopropyl)-n-methylaniline96+%N-(3-Aminopropyl)-N-methylaniline >N1-methyl-N1-phenyl-1,3-Propanediamine

WGHBKYWUOOANEX-UHFFFAOYSA-N-phenyl-N-methyl-1,3-diaminopropaneN-Methyl-N-phenyl-propane-1,3-diamineTS-00123(3-aminopropyl)methylphenylamineN-Methyl-N-phenyltrimethylenediamineN-(3-AMINOPROPYL)-N-METHYL-N-PHENYLAMINEA1ENO

Database identifiers

CAS: 53485-07-7
PubChem CID: 577774
DTXSID: DTXSID20342015
EC Number: 672-758-6
Nikkaji: J534.001B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 110 · 110-111.5 °C(Solvent: Ligroine; Dichloromethane)
Boiling point: 172 °C · 172 °C / 40mmHg
Density: 1 g/cm3 · 1 g/cm3
refractive index: 1.564 · 1.5640-1.5660
storage temp.: Refrigerator, Under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 10.193 · 10.193±0.10(predicted)
color: Light Yellow to Dark Yellow
CAS DataBase Reference: 53485 · 53485-07-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2921599090 · 2921599090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2921599090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesN-(3-Aminopropyl)-N-methylaniline is a useful research chemical for organic synthesis and other chemical processes. It can be used to prepare cationic polyamid material and used for various applications for drug delivery carrier.