3-Aminopropyl hydrogen sulfate
Basic information
- CAS
1071-29-0- Standard SMILES
NCCCOS(=O)(=O)O- InChIKey
LZOFQGWJBGZHMW-UHFFFAOYSA-N- Molecular formula
- C3H9NO4S
- Average molar mass
- 155.18 g/mol
- Monoisotopic mass
- 155.02522894
Overview
(3-aminopropoxy)sulfonic acid is a sulfuric ester.
Names & identifiers
- Preferred name
- 3-Aminopropyl hydrogen sulfate
- IUPAC
- 3-aminopropyl hydrogen sulfate
- English name
- 1-Propanol, 3-amino-,1-(hydrogen sulfate)
- Molecular formula
- C3H9NO4S
- Molecular weight
- 155.17286
Names & synonyms
3-aminopropyl hydrogen sulfate1071-29-0DTXSID60303786RefChem:276673DTXCID30254918(3-aminopropoxy)sulfonic acidNSC1616103-aminopropyl hydrogen sulateSCHEMBL5424137SCHEMBL75605973-amino-propyl hydrogen sulfateCHEBI:185969
Show more names
1-Propanol, 3-amino-,1-(hydrogen sulfate)
LZOFQGWJBGZHMW-UHFFFAOYSA-NNSC-161610
Database identifiers
- CAS
1071-29-0- PubChem CID
- 294069
- DTXSID
DTXSID60303786- ChEBI
CHEBI:185969- Nikkaji
- J1.851.484B
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Chemistry & industry
Additional notes
DefinitionChEBI: (3-aminopropoxy)sulfonic acid is a sulfuric ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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