3-(Benzylamino)propanol

HCID 78448

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Basic information

CAS: 4720-29-0
Standard SMILES: OCCCNCc1ccccc1
InChIKey: ZQJXSIOFSZYGMH-UHFFFAOYSA-N
Molecular formula: C10H15NO
Average molar mass: 165.23 g/mol
Monoisotopic mass: 165.1153641

Names & identifiers

Preferred name: 3-(Benzylamino)propanol
IUPAC: 3-(benzylamino)propan-1-ol
English name: N-Benzyl-3-aminopropan-1-ol
Molecular formula: C10H15NO
Molecular weight: 165.23

Names & synonyms

3-(Benzylamino)propanolEINECS 225-210-1NSC 17283DTXSID00197065RefChem:494261DTXCID10119556225-210-14720-29-03-(benzylamino)propan-1-ol3-(Benzylamino)-1-propanolN-BENZYL-3-AMINOPROPAN-1-OLN-Benzyl-3-aminopropanol

Show more names

NSC 165603CHEMBRDG-BB 5116282N-Benzyl-3-propanolaMinebenzyl-3-aminopropan-1-ol

3-BENZYLAMINO-1-PROPANOLMFCD000206223-benzylamino-propan-1-olN-(3-Hydroxypropyl)benzylamine3-[benzylamino]propan-1-olN-Benzyl-N-(3-hydroxypropyl)amine1-Propanol, 3-[(phenylmethyl)amino]-N-Benzyl-3-amino-1-propanol

Database identifiers

CAS: 4720-29-0
PubChem CID: 78448
DTXSID: DTXSID00197065
EC Number: 225-210-1
Nikkaji: J154.821B

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 100

Physicochemical properties

Boiling point: 115 °C/0.7mmHg · 115°C/0.7mmHg(lit.)
Density: 1.022 · 1.022±0.06 g/cm3(Predicted)
refractive index: 1.536 · 1.5360-1.5400
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform, Dichloromethane, Ethyl Acetate
form: Oil
pka: 14.96 · 14.96±0.10(Predicted)
color: Colorless
InChI: InChI=1S/C10H15NO/c12-8-4-7-11-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
InChIKey: ZQJXSIOFSZYGMH-UHFFFAOYSA-N
SMILES: C(O)CCNCC1=CC=CC=C1
LogP: 0.906 · 0.906 (est)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2922190090 · 2922190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (84.8%)

Safety data

hs_code: 2922190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a