3-(1,3-Benzothiazol-2-yl)propan-1-amine
Basic information
- CAS
51124-73-3- Standard SMILES
NCCCc1nc2ccccc2s1- InChIKey
DJRGJNBEQJJKMJ-UHFFFAOYSA-N- Molecular formula
- C10H12N2S
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.07211956
Names & identifiers
- Preferred name
- 3-(1,3-Benzothiazol-2-yl)propan-1-amine
- IUPAC
- 3-(1,3-benzothiazol-2-yl)propan-1-amine
- English name
- 2-Benzothiazolepropanamine(9CI)
- Molecular formula
- C10H12N2S
- Molecular weight
- 192.28
Names & synonyms
51124-73-33-(Benzo[d]thiazol-2-yl)propan-1-amine3-(1,3-benzothiazol-2-yl)propan-1-amine3-benzothiazol-2-ylpropylamine3-(1,3-benzothiazol-2-yl)-1-propanamineSCHEMBL10763327DTXSID00429313ALBB-005873SBB042727AKOS000119047BS-38113CS-0453146
Show more names
2-Benzothiazolepropanamine2-Benzothiazolepropanamine(9CI)3-(1,3-benzothiazol-2-yl)propylamine hydrochloride3-(benzo[d]thiazol-2-yl)propan-1-amine hydrochloride3-(1,3-Benzothiazol-2-yl)propyl]amine Hydrochloride Hydrate3-(1,3-benzothiazol-2-yl)-1-propanamine(SALTDATA: 1.1HCl 0.7H2O)
EN300-23997
Database identifiers
- CAS
51124-73-3- PubChem CID
- 9106640
- DTXSID
DTXSID00429313
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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