Basic information
- CAS
125829-10-9- Standard SMILES
Cl.Cl.NCCCSSCCCN- InChIKey
UBGCDCQBNHPNME-UHFFFAOYSA-N- Molecular formula
- C6H18Cl2N2S2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 252.0288463
Names & identifiers
- Preferred name
- Homocystamine dihydrochloride
- IUPAC
- 3-(3-aminopropyldisulfanyl)propan-1-amine;dihydrochloride
Names & synonyms
Homocystamine dihydrochloride29205-72-9DTXSID60183464RefChem:146714DTXCID70105955125829-10-93,3'-Disulfanediylbis(1-propanamine) Dihydrochloride3,3'-disulfanediylbis(propan-1-amine) dihydrochlorideMFCD017415933-[(3-aminopropyl)disulfanyl]propan-1-amine dihydrochlorideHomocystamine HCl3,3'-Dithiobis(1-propanamine) dihydrochloride
Show more names
1-Propanamine, 3,3'-dithiobis-, dihydrochloridePropylamine, 3,3'-dithiobis-, dihydrochlorideSCHEMBL108064183-(3-aminopropyldisulfanyl)propan-1-amine;dihydrochlorideUBGCDCQBNHPNME-UHFFFAOYSA-Naminopropyldisulfide dihydrochlorideAT13115SY298776
Database identifiers
- CAS
125829-10-9、29205-72-9- PubChem CID
- 207124
- DTXSID
DTXSID60183464- EC Number
- 872-480-7
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 53.7
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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%)
Related reactions
1 records
Compound notes
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