1-Aminobutylphosphonic acid
Basic information
- CAS
13138-36-8- Standard SMILES
CCCC(N)P(=O)(O)O- InChIKey
UAEPDDGDPAPPHZ-UHFFFAOYSA-N- Molecular formula
- C4H12NO3P
- Average molar mass
- 153.12 g/mol
- Monoisotopic mass
- 153.05548024
Names & identifiers
- Preferred name
- 1-Aminobutylphosphonic acid
- IUPAC
- 1-aminobutylphosphonic acid
- English name
- (1-AMINOBUTYL)PHOSPHONIC ACID
- Molecular formula
- C4H12NO3P
- Molecular weight
- 153.12
Names & synonyms
13138-36-81-aminobutylphosphonic acidPhosphonic acid, (1-aminobutyl)-NSC-117799DL-(1-Aminobutyl)phosphonic acidJ441.089KPhosphonic acid, P-(1-aminobutyl)-alpha-Aminobutanephosphonic acidP36483AQ3G.ALPHA.-AMINOBUTANEPHOSPHONIC ACIDRefChem:429407(+-)-(1-AMINOBUTYL)PHOSPHONIC ACID
Show more names
NSC 117799Phosphonic acid,P-(1-aMinobutyl)-(1-Aminobutyl)phosphonic acid,97%(1-AMINOBUTYL)PHOSPHONIC ACID 97%
631-339-8(1-aminobutyl)phosphonic acid(+/-)-(1-Aminobutyl)phosphonic acidCHEMBL1089898MFCD00039779UNII-P36483AQ3GNSC117799alpha-aminobutylphosphonic acid
Database identifiers
- CAS
13138-36-8- PubChem CID
- 272986
- ChEMBL
CHEMBL1089898- UNII
- P36483AQ3G
- EC Number
- 631-339-8
- Nikkaji
- J441.089K
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 276 · 276-281 °C
- Boiling point
- 312.5 · 312.5±44.0 °C(Predicted)
- Density
- 1.3 · 1.300
- form
- solid
- pka
- 0.92 · 0.92±0.10(Predicted)
- CAS DataBase Reference
- 13138 · 13138-36-8
- FDA UNII
- 36483 AQ3G · P36483AQ3G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26-36
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)
Aggregated GHS information provided per 38 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…