(3R)-1-benzylpiperidin-3-amine

HCID 854130
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Basic information

CAS
168466-84-0
Standard SMILES
N[C@@H]1CCCN(Cc2ccccc2)C1
InChIKey
HARWNWOLWMTQCC-GFCCVEGCSA-N
Molecular formula
C12H18N2
Average molar mass
190.28 g/mol
Monoisotopic mass
190.14699858

Names & identifiers

Preferred name
(3R)-1-benzylpiperidin-3-amine
IUPAC
(3R)-1-benzylpiperidin-3-amine
English name
(R)-3-Amino-1-benzylpiperidine
Molecular formula
C12H18N2
Molecular weight
190.29

Names & synonyms

(3R)-1-benzylpiperidin-3-amineRefChem:400755676-160-6168466-84-0(R)-3-Amino-1-benzylpiperidine(r)-3-amino-1-benzyl-piperidine(r)-1-benzylpiperidin-3-amine3-Piperidinamine, 1-(phenylmethyl)-, (3R)-(R)-1-Benzyl-3-AminopiperidineMFCD03093374SCHEMBL2227086AKOS016842392
Show more names
C-3101RCAS:168466-84-0Linagliptin Impurity 89(r)-n-benzyl-3-amino-piperidine1-BENZYL-PIPERIDIN-(R)-3-YLAMINE(3R)-1-(Benzyl)-3-piperidinaMine
(R)-3-Amino-1-benzylpiperidine, AldrichCPREN300-7056095(3R)-1-(Phenylmethyl)-3-piperidinamine(R)-N-benzyl-3-aminopiperidineDTXSID20357548(3R)-1-Benzyl-3-piperidinamine(r)-1-benzyl-piperidin-3-ylamine(R)-1-phenylmethyl-3-aminopiperidine

Database identifiers

CAS
168466-84-0
PubChem CID
854130
DTXSID
DTXSID20357548
EC Number
676-160-6

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
29.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Boiling point
281.2 · 281.2±33.0 °C(Predicted)
Density
1.037 · 1.037±0.06 g/cm3(Predicted)
Flash point
113 ℃ · 113℃
storage temp.
2 · 2-8°C(protect from light)
form
solid
pka
10.21 · 10.21±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (12.5%)

Safety data

hs_code
29333990
risk_code
25-36/37/38
Signal word
Danger
Symbol(GHS)
GHS07
hazard_code
Xi,T
safety_code
45-37-26

Chemistry & industry

Applications

Uses(R)-3-Amino-1-benzylpiperidine is used as an organic chemical synthesis intermediate.

Upstream & downstream products

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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