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Structure

[4-(Piperidinomethyl)phenyl]methylamine

CAS
91271-81-7
Catalog Number
ACM91271817
Category
Other Products
Molecular Weight
204.31
Molecular Formula
C13H20N2

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Specification

Synonyms
ASINEX-REAG BAS 12433631;1-[4-(PIPERIDIN-1-YLMETHYL)PHENYL]METHANAMINE;AKOS BB-8917;4-(1-PIPERIDINYLMETHYL)BENZYLAMINE;[4-(PIPERIDINOMETHYL)PHENYL]METHYLAMINE;4-PIPERIDIN-1-YLMETHYL-BENZYLAMINE;4-[(Piperidin-1-yl)methyl]benzylamine 97%
IUPAC Name
[4-(piperidin-1-ylmethyl)phenyl]methanamine
Canonical SMILES
C1CCN(CC1)CC2=CC=C(C=C2)CN
InChI Key
ZFGDDEAKGXWYBG-UHFFFAOYSA-N
Boiling Point
314.6ºC at 760mmHg
Flash Point
131.6ºC
Density
1.043g/cm³
Exact Mass
204.16300
Hazard Statements
T: Toxic;Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of [4-(Piperidinomethyl)phenyl]methylamine?

The molecular formula is C13H20N2.

What is the molecular weight of [4-(Piperidinomethyl)phenyl]methylamine?

The molecular weight is 204.31 g/mol.

What is the IUPAC name of [4-(Piperidinomethyl)phenyl]methylamine?

The IUPAC name is [4-(piperidin-1-ylmethyl)phenyl]methanamine.

What is the InChI of [4-(Piperidinomethyl)phenyl]methylamine?

The InChI is InChI=1S/C13H20N2/c14-10-12-4-6-13(7-5-12)11-15-8-2-1-3-9-15/h4-7H,1-3,8-11,14H2.

What is the InChIKey of [4-(Piperidinomethyl)phenyl]methylamine?

The InChIKey is ZFGDDEAKGXWYBG-UHFFFAOYSA-N.

What is the canonical SMILES of [4-(Piperidinomethyl)phenyl]methylamine?

The canonical SMILES is C1CCN(CC1)CC2=CC=C(C=C2)CN.

What is the CAS number of [4-(Piperidinomethyl)phenyl]methylamine?

The CAS number is 91271-81-7.

What is the ChEMBL ID of [4-(Piperidinomethyl)phenyl]methylamine?

The ChEMBL ID is CHEMBL4559446.

What is the DSSTox Substance ID of [4-(Piperidinomethyl)phenyl]methylamine?

The DSSTox Substance ID is DTXSID60409434.

Is [4-(Piperidinomethyl)phenyl]methylamine a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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