1-(Tert-butylamino)-3-chloropropan-2-ol
Basic information
- CAS
13156-02-0- Standard SMILES
CC(C)(C)NCC(O)CCl- InChIKey
CMTRKCHBUYKDSI-UHFFFAOYSA-N- Molecular formula
- C7H16ClNO
- Average molar mass
- 165.66 g/mol
- Monoisotopic mass
- 165.0920418
Names & identifiers
- Preferred name
- 1-(Tert-butylamino)-3-chloropropan-2-ol
- IUPAC
- 1-(tert-butylamino)-3-chloropropan-2-ol
- English name
- 1-Chloro-3-t-Butylamino-2-propanol
- Molecular formula
- C7H16ClNO
- Molecular weight
- 165.66
Names & synonyms
1-(tert-butylamino)-3-chloropropan-2-ol13156-02-01-CHLORO-3-T-BUTYLAMINO-2-PROPANOL1-Chloro-3-[(1,1-dimethylethyl)-amino]-2-propanol1-(tert-butylamino)-3-chloro-2-propanol1-chloro-3-(tert-butylamino)propan-2-olSCHEMBL11307910DTXSID70330467CMTRKCHBUYKDSI-UHFFFAOYSA-NAKOS0062292751-tert-Butylamino-3-chloro-2-propanolDB-191081
Show more names
1-Chloro-3-tert-butyl amino-2-propanol2-Propanol, 1-chloro-3-[(1,1-dimethylethyl)amino]-
1-Chloro-3-[(1,1-dimethylethyl)amino]-2-propanol
Database identifiers
- CAS
13156-02-0- PubChem CID
- 429714
- DTXSID
DTXSID70330467- Nikkaji
- J24.989K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.1
Physicochemical properties
- InChI
- InChI=1S/C7H16ClNO/c1-7(2,3)9-5-6(10)4-8/h6,9-10H,4-5H2,1-3H3
- InChIKey
- CMTRKCHBUYKDSI-UHFFFAOYSA-N
- SMILES
- C(Cl)C(O)CNC(C)(C)C
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Compound notes
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