Basic information
- CAS
105882-51-7- Standard SMILES
CSCCC(C)N- InChIKey
FNVNAEIAPMSQRL-UHFFFAOYSA-N- Molecular formula
- C5H13NS
- Average molar mass
- 119.23 g/mol
Names & identifiers
- Preferred name
- 4-(Methylsulfanyl)butan-2-amine
- IUPAC
- 4-methylsulfanylbutan-2-amine
- English name
- 4-(methylsulfanyl)butan-2-amine
- Molecular formula
- C5H13NS
- Molecular weight
- 119.23
Names & synonyms
4-(methylsulfanyl)butan-2-amine105882-51-7RefChem:516366971-660-34-methylsulfanylbutan-2-amineSCHEMBL1784271SCHEMBL29165851-methyl-3-methylthiopropylamineFNVNAEIAPMSQRL-UHFFFAOYSA-NAKOS006350313CS-0262000EN300-80833
Show more names
4-(methylthio)butan-2-amine2-Butanamine, 4-(methylthio)-
G43480
Database identifiers
- CAS
105882-51-7- PubChem CID
- 22979404
- EC Number
- 971-660-3
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 39.1
Physicochemical properties
- Boiling point
- 177.7 · 177.7±23.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- pka
- 10.08 · 10.08±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
2 records
Compound notes
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