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1-(Diphenylmethyl)-N-methylazetidin-3-amine

HCID 50319
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Basic information

CAS
69159-49-5
Standard SMILES
CNC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey
FQFKVNTZBGKHLL-UHFFFAOYSA-N
Molecular formula
C17H20N2
Average molar mass
252.35 g/mol
Monoisotopic mass
252.16264865

Names & identifiers

Preferred name
1-(Diphenylmethyl)-N-methylazetidin-3-amine
IUPAC
1-benzhydryl-N-methylazetidin-3-amine
English name
1-Benzhydryl-N-methyl-3-azetidinamine
Molecular formula
C17H20N2
Molecular weight
252.35

Names & synonyms

69159-49-51-(DIPHENYLMETHYL)-N-METHYLAZETIDIN-3-AMINEDTXSID50988869RefChem:1054679DTXCID7014160031-benzhydryl-N-methylazetidin-3-amine1-Benzhydryl-N-methyl-3-azetidinamine3-Azetidinamine, 1-(diphenylmethyl)-N-methyl-MFCD016653561-DIPHENYLMETHYL-(3-METHYLAMINO)AZETIDINE1-Benzhydryl-N-methyl-azetidin-3-amine1-(Diphenylmethyl)-N-methyl-3-azetidinamine
Show more names
1-DiphenylMethyl-(3-Methy...1-(Diphenylmethyl)-3-(methylamino)azetidine1-Diphenylmethyl-(3-methylamino)azetidine - [D10216]
N-(1-Benzhydrylazetidin-3-yl)-N-methylamine(1-Benzhydryl-azetidin-3-yl)-methyl-amineSCHEMBL1221639CHEMBL3228188FQFKVNTZBGKHLL-UHFFFAOYSA-N1-benzhydryl-3-(methylamino)azetidineAKOS015850994PB12943

Database identifiers

CAS
69159-49-5
PubChem CID
50319
DTXSID
DTXSID50988869
ChEMBL
CHEMBL3228188
Nikkaji
J84.689I

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
19
Formal charge
0
Complexity
242

Physicochemical properties

Boiling point
349 ℃ · 349℃
Density
1.1 · 1.10
Flash point
129 ℃ · 129℃
storage temp.
2 · 2-8°C(protect from light)
pka
9.38 · 9.38±0.20(Predicted)
Appearance
white solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
29339900 · 29339900

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
29339900
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

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Related reactions

5 records
New reaction record
HRID 110391 reaction equation
HRID 110391As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 743663 reaction equation
HRID 743663As productuspto-grants-1996_09
HRID 1027866 reaction equation
HRID 1027866As productuspto-grants-2014_05
HRID 1150715 reaction equation
HRID 1150715As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1511804 reaction equation
HRID 1511804As productuspto-grants-2012_07

Compound notes

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