Basic information
- CAS
50541-93-0- Standard SMILES
NC1CCN(Cc2ccccc2)CC1- InChIKey
YUBDLZGUSSWQSS-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1-Benzyl-4-piperidylamine
- IUPAC
- 1-benzylpiperidin-4-amine
- English name
- 4-Amino-1-benzylpiperidine
- Molecular formula
- C12H18N2
- Molecular weight
- 190.28
Names & synonyms
4-Amino-1-benzylpiperidine50541-93-01-Benzyl-4-aminopiperidine1-(Phenylmethyl)-4-piperidinamine1-Benzyl-4-piperidylamine1-Benzyl-4-piperidinaminen-benzyl-4-aminopiperidine4-Amino-N-benzylpiperidine6QX28DE2951-benzyl-4-piperidinylamineEINECS 256-620-9NSC 730607
Show more names
1-BENZYL-PIPERIDIN-4-YLAMINE4-(PIPERIDIN-1-YLMETHYL)ANILINE4-PiperiAKOS B014375AKOS MSC-0180ASISCHEM W546451-benzyl-4-aMinoAKOS BOR-MOSH-08
DTXSID601985782-AMINO-1-BENZYLPIPERIDINERefChem:429948DTXCID20121069256-620-9N-BENZYL-4-PIPERIDINAMINE1-benzylpiperidin-4-amine4-Piperidinamine, 1-(phenylmethyl)-
Database identifiers
- CAS
50541-93-0- PubChem CID
- 415852
- DTXSID
DTXSID60198578- ChEMBL
CHEMBL366500- UNII
- 6QX28DE295
- EC Number
- 256-620-9
- Nikkaji
- J207.965H
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
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 121 · 121-122 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 152 °C · 152 °C (9.7 mmHg)
- Density
- 0.933 g/mL · 0.933 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.543(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 10 g/l · 10g/l
- form
- Liquid
- pka
- 10.15 · 10.15±0.20(Predicted)
- color
- Clear colorless to light yellow
- PH
- 11.4 · 11.4 (10g/l, H2O)
- Water Solubility
- immiscible
- Sensitive
- Air Sensitive
- BRN
- 146038 · 146038
- InChI
- 1S/C12H18N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10,13H2
- InChIKey
- YUBDLZGUSSWQSS-UHFFFAOYSA-N
- SMILES
- NC1CCN(CC1)Cc2ccccc2
- CAS DataBase Reference
- 50541 · 50541-93-0(CAS DataBase Reference)
- FDA UNII
- 6 QX28DE295 · 6QX28DE295
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P332+P313-P362+P364
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36
- RIDADR
- 2735 · UN2735
- WGK Germany
- 3 · 3
- F
- 8 · 8-10-34
- HazardClass
- IRRITANT
- HS Code
- 29333999 · 29333999
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 · Skin Irrit. 2
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (92.3%): 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information4-Amino-N-benzylpiperidine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (92.3%)
Safety data
- F
- 8-10-34
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2735
- hs_code
- 29333999
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P332+P313-P362+P364
Chemistry & industry
Applications
Uses4-Amino-1-benzylpiperidine was used in the preparation of:butyl 4-amino-1-piperidineacetate, key intermediate required for the synthesis of butyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidineacetate5-alkylimino-1,2,4-thiadiazolidine-3-ones, such as 4-ethyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-methyl-1,2,4-thiadiazolidin-3-one and 4-benzyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-isopropyl-1,2,4-thiadiazolidin-3-oneglycyrrhetinic acid derivatives
Upstream & downstream products
Upstream raw materials
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Related reactions
408 records
Compound notes
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