Basic information
- Standard SMILES
Cl.NC1CCOCC1- InChIKey
KWZSCXIYGVEHOB-UHFFFAOYSA-N- Molecular formula
- C5H12ClNO
- Average molar mass
- 137.61 g/mol
- Monoisotopic mass
- 137.06074168
Names & identifiers
- Preferred name
- 4-Aminotetrahydropyran hydrochloride
- IUPAC
- oxan-4-amine;hydrochloride
Names & synonyms
4-Aminotetrahydropyran hydrochlorideoxan-4-amine hydrochlorideRefChem:518312608-821-1691-858-033024-60-1tetrahydro-2H-pyran-4-amine hydrochlorideTetrahydro-pyran-4-ylamine hydrochlorideoxan-4-amine;hydrochlorideMFCD001008812H-Pyran-4-amine, tetrahydro-, hydrochloride4-aminotetrahydropyran HCl salt
Show more names
4VE27D8V46AKOS008105027CS-W002372PB274214-Aminotetrahydropyran HClZ600428352oxan-4-ylazanium;chloride4-Amino-tet
Database identifiers
- CAS
33024-60-1- PubChem CID
- 44118693
- DTXSID
DTXSID80656948- UNII
- 4VE27D8V46
- EC Number
- 608-821-1、691-858-0
Properties
Computed structural properties
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 50
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 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (50%)
Skin Irrit. 2 (100%)
Related reactions
33 records
Linked notes
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