1-(5-Chlorothiophen-2-yl)propan-2-amine
Basic information
- CAS
74626-41-8- Standard SMILES
CC(N)Cc1ccc(Cl)s1- InChIKey
KBRSVPQQFOBHLK-UHFFFAOYSA-N- Molecular formula
- C7H10ClNS
- Average molar mass
- 175.68 g/mol
- Monoisotopic mass
- 175.0222482
Names & identifiers
- Preferred name
- 1-(5-Chlorothiophen-2-yl)propan-2-amine
- IUPAC
- 1-(5-chlorothiophen-2-yl)propan-2-amine
- English name
- 1-(5-chlorothiophen-2-yl)propan-2-amine
- Molecular formula
- C7H10ClNS
- Molecular weight
- 175.67
Names & synonyms
1-(5-chlorothiophen-2-yl)propan-2-amine74626-41-8RefChem:426427963-972-3CHEMBL3302332SCHEMBL27286918ZCA62641AKOS0093218131-(5-chloro-2-thienyl)propan-2-amineCS-0225249EN300-12320082-Thiopheneethanamine, 5-chloro-α-methyl-
Database identifiers
- CAS
74626-41-8- PubChem CID
- 49890
- ChEMBL
CHEMBL3302332- EC Number
- 963-972-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 237.3 · 237.3±25.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 9.18 · 9.18±0.10(Predicted)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
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Compound notes
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