Basic information
- CAS
31897-98-0- Standard SMILES
Cl.NCCCC12CC3CC(CC(C3)C1)C2- InChIKey
KWASCACKNUFQKQ-UHFFFAOYSA-N- Molecular formula
- C13H24ClN
- Average molar mass
- 229.79 g/mol
- Monoisotopic mass
- 229.1597275
Names & identifiers
- Preferred name
- 3-(Adamantan-1-yl)propan-1-amine hydrochloride
- IUPAC
- 3-(1-adamantyl)propan-1-amine;hydrochloride
- English name
- 1-(3-Aminopropyl)adamantane hydrochloride
- Molecular formula
- C13H23N.ClH
- Molecular weight
- 229.79
Names & synonyms
3-(adamantan-1-yl)propan-1-amine hydrochlorideRefChem:493989849-976-731897-98-01-(3-AMINOPROPYL)ADAMANTANE HYDROCHLORIDEADAMANTANE, 1-(3-AMINOPROPYL)-, HYDROCHLORIDE3-(1-Adamantyl)propan-1-amine,hydrochloride3-(1-adamantyl)propan-1-amine;hydrochloridePropylamine, 3-(1-adamantyl)-, hydrochlorideSCHEMBL1758966CHEMBL1213380DTXSID10185751
Show more names
3-(1-adamantyl)-1-propanamine hydrochloride
GBA89798EN300-7549257Z572285343-(Adamantan-1-yl)propan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
31897-98-0- PubChem CID
- 35997
- DTXSID
DTXSID10185751- ChEMBL
CHEMBL1213380- EC Number
- 849-976-7
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 600 mg/kg JMCMAR 17,602,74
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Toxicity
- LD50 orl-mus: 600 mg/kg JMCMAR 17,602,74
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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