Basic information
- CAS
13242-44-9- Standard SMILES
CN(C)CCS.Cl- InChIKey
NRVFDGZJTPCULU-UHFFFAOYSA-N- Molecular formula
- C4H11NS.ClH
- Average molar mass
- 141.66 g/mol
- Monoisotopic mass
- 141.03789806
Names & identifiers
- Preferred name
- Captamine Hydrochloride
- IUPAC
- 2-(dimethylamino)ethanethiol;hydrochloride
Names & synonyms
13242-44-92-(Dimethylamino)ethanethiol hydrochlorideCaptamine hydrochlorideCaptamine HClN,N-Dimethylcysteamine hydrochlorideNSC-45463Captamine hydrochloride [USAN]N-Dimethylcysteamine hydrochloride(2-Mercaptoethyl)dimethylammonium chlorideETHANETHIOL, 2-(DIMETHYLAMINO)-, HYDROCHLORIDEN-(2-Mercaptoethyl)dimethylamine hydrochloride(Dimethylamino)ethanethiol hydrochloride
Show more names
DTXSID7046596EINECS 236-221-61-(Dimethylamino)-2-thioethane hydrochlorideN,N-Dimethyl-2-aminoethanethiol hydrochlorideNSC 45463UNII-M43AX41U872-Dimethylamino ethanethiol hydrochlorideM43AX41U87
Database identifiers
- CAS
13242-44-9- PubChem CID
- 25798
- DTXSID
DTXSID7046596- ChEMBL
CHEMBL2107613- UNII
- M43AX41U87
- EC Number
- 236-221-6
Properties
Computed structural properties
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 28.7
Safety & regulation
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
Regulatory Information
Chemical: Ethanethiol, 2-(dimethylamino)-, hydrochloride
Ethanethiol, 2-(dimethylamino)-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanethiol, 2-(dimethylamino)-, hydrochloride (1:1): ACTIVE
Related reactions
68 records
Compound notes
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