3-Amino-1-(diphenylmethyl)azetidine

HCID 5744546

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Basic information

CAS: 40432-52-8
Standard SMILES: NC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
Molecular formula: C16H18N2
Average molar mass: 238.33 g/mol
Monoisotopic mass: 238.14699858

Names & identifiers

Preferred name: 3-Amino-1-(diphenylmethyl)azetidine
IUPAC: 1-benzhydrylazetidin-3-amine
English name: 3-Amino-1-diphenylmethylazetidine
Molecular formula: C16H18N2
Molecular weight: 238.33

Names & synonyms

3-AMINO-1-(DIPHENYLMETHYL)AZETIDINE1-(diphenylmethyl)-3-azetidinamineRefChem:496764640-915-81-benzhydrylazetidin-3-amine40432-52-83-amino-1-diphenylmethylazetidine1-(diphenylmethyl)azetidin-3-amine1-benzhydryl-3-aminoazetidineMFCD030933861-benzhydryl-azetidin-3-ylamine852655-92-6

Show more names

Compound FL0008BUTTPARK 92\50-953-amino-1-benzhylazetidine3-Amino-1-(diphenylmethyl...3-AMINO-1-BENZHYDRYLAZETIDINE3-Amino-1-Diphenylmethylazetid1-Benzhydrylazetidin-3-amine 97%

3-Azetidinamine, 1-(diphenylmethyl)-1-benzhydryl-3-azetanamineSCHEMBL724661-benzhydrylazetidin-3-ylamine3-amino-1-benzhydryl azetidineorb3169848SCHEMBL5695024DTXSID40960831

Database identifiers

CAS: 40432-52-8
PubChem CID: 5744546
DTXSID: DTXSID40960831
EC Number: 640-915-8
Nikkaji: J2.411.778B

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 230

Physicochemical properties

Melting point: 63 °C · 63 °C
Boiling point: 339.2 · 339.2±42.0 °C(Predicted)
Density: 1.125 · 1.125±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.48 · 8.48±0.20(Predicted)
form: powder to crystal
color: White to Orange to Green
InChI: InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
SMILES: N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(N)C1
CAS DataBase Reference: 40432 · 40432-52-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P