1-benzyl-N-methylpiperidin-4-amine

HCID 4136128
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Basic information

CAS
7006-50-0
Standard SMILES
CNC1CCN(Cc2ccccc2)CC1
InChIKey
RGEQSTMITLEXKD-UHFFFAOYSA-N
Molecular formula
C13H20N2
Average molar mass
204.31 g/mol
Monoisotopic mass
204.16264864

Names & identifiers

Preferred name
1-benzyl-N-methylpiperidin-4-amine
IUPAC
1-benzyl-N-methylpiperidin-4-amine
English name
(1-Benzyl-piperidin-4-yl)-methyl-amine
Molecular formula
C13H20N2
Molecular weight
204.31

Names & synonyms

7006-50-01-benzyl-N-methylpiperidin-4-amineDTXSID40399748RefChem:430007DTXCID70350605676-993-54-(Methylamino)-1-benzylpiperidine(1-Benzyl-piperidin-4-yl)-methyl-amine1-benzyl-4-(methylamino)piperidineMFCD039310541-benzyl-N-methyl-piperidin-4-amine1-BENZYL-N-METHYL-4-PIPERIDINAMINE
Show more names
1-Benzyl-4-(methylamino)piperidin1-Benzyl-4-(N-methyl)piperidinamine
(1-BENZYL-PIPERIDIN-4-YL)-N-METHYL-AMINEN-Methyl-(1-benzyl-piperidin-4-yl)amine4-Piperidinamine, N-methyl-1-(phenylmethyl)-1-benzyl-4-meSCHEMBL360075orb3029302SCHEMBL1488051SCHEMBL3366239

Database identifiers

CAS
7006-50-0
PubChem CID
4136128
DTXSID
DTXSID40399748
EC Number
676-993-5

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Boiling point
110 °/0.7mm · 110°/0.7mm
Density
1.01 · 1.01±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
10.3 · 10.30±0.20(Predicted)
Appearance
White to off-white Solid
CAS DataBase Reference
7006 · 7006-50-0(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 5 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses1-Benzyl-N-methylpiperidin-4-amine is a useful intermediate used in the synthesis of Taladegib; a small molecular hedgehog signaling pathway inhibitor.

Suppliers79 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

76 records
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Compound notes

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