Bipenamol
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Basic information
- CAS
79467-22-4- Standard SMILES
NCc1ccccc1Sc1ccccc1CO- InChIKey
HLAFSNJRKZLMPT-UHFFFAOYSA-N- Molecular formula
- C14H15NOS
- Average molar mass
- 245.34 g/mol
- Monoisotopic mass
- 245.08743528
Overview
Bipenamol is a small molecule drug. Bipenamol has a monoisotopic molecular weight of 245.09 Da.
Names & identifiers
- Preferred name
- Bipenamol
- IUPAC
- [2-[2-(aminomethyl)phenyl]sulfanylphenyl]methanol
- English name
- 2-[2-(AMINOMETHYL)PHENYLTHIO]BENZYL ALCOHOL
- Molecular formula
- C14H15NOS
- Molecular weight
- 245.34
Names & synonyms
Bipenamol79467-22-4Bipenamol [INN]DTXSID0046561UNII-49DCB7156W49DCB7156WDTXCID8026561O-((.ALPHA.-AMINO-O-TOLYL)THIO)BENZYL ALCOHOLBENZENEMETHANOL, 2-((2-(AMINOMETHYL)PHENYL)THIO)-bipenamolumRefChem:119902O-((ALPHA-AMINO-O-TOLYL)THIO)BENZYL ALCOHOL
Show more names
Bipenamol (free base)2-[2-(Aminomethyl)phenylthio]benzyl a2-[[2-(Aminomethyl)phenyl]thio]benzenemethanol2-[2-(AMinoMethyl)phenylthio]benzyl alcohol 95%Benzenemethanol, 2-[[2-(aminomethyl)phenyl]thio]-
2-[2-(Aminomethyl)phenylthio]benzyl alcohol[2-[2-(aminomethyl)phenyl]sulfanylphenyl]methanol(2-((2-(Aminomethyl)phenyl)thio)phenyl)methanol(2-{[2-(aminomethyl)phenyl]sulfanyl}phenyl)methanolMFCD00075349NCGC00166219-01CAS-79467-22-42-(2-(AMINOMETHYL)PHENYLTHIO)BENZYL ALCOHOL
Database identifiers
- CAS
79467-22-4- PubChem CID
- 43961
- DTXSID
DTXSID0046561- ChEMBL
CHEMBL310160- UNII
- 49DCB7156W
- EC Number
- 624-588-9
- Nikkaji
- J34.497D
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
LogP2.39
Physicochemical properties
- Melting point
- 96 · 96-98 °C(lit.)
- InChI
- 1S/C14H15NOS/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,16H,9-10,15H2
- InChIKey
- HLAFSNJRKZLMPT-UHFFFAOYSA-N
- SMILES
- NCc1ccccc1Sc2ccccc2CO
- FDA UNII
- 49 DCB7156W · 49DCB7156W
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 39 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAntidepressant.
Uses2-[2-(Aminomethyl)phenylthio]benzyl alcohol may be used in chemical synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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