3-Aminopropylphosphonic acid (HCID 97587)

Overview

(3-aminopropyl)phosphonic acid is a phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 3-aminopropyl group. It is a partial agonist of GABAB receptors. It has a role as a GABAB receptor agonist. It is a member of phosphonic acids and a primary amino compound. It is functionally related to a phosphonic acid. It is a tautomer of a (3-aminopropyl)phosphonic acid zwitterion.

Names & identifiers

Preferred name: 3-Aminopropylphosphonic acid
IUPAC: 3-aminopropylphosphonic acid
English name: 3-Aminopropylphosphonic acid
Molecular formula: C3H10NO3P
Molecular weight: 139.09

Names & synonyms

3-Aminopropylphosphonic acid13138-33-5(3-aminopropyl)phosphonic acidNSC-133832VM92T06VPBCHEBI:142993RefChem:497782625-723-4Phosphonic acid, P-(3-aminopropyl)-Phosphonic acid, (3-aminopropyl)-MFCD00008222(3-Amino-propyl)-phosphonic acid

Show more names

TIMTEC-BB SBB0041843-AMinopropylphosphonic3-Aminopropyl-phosphonate3-AMINOPROPYLPHOSPHONIC ACID 97%(3-Aminopropyl)phosphonic acid,97%

CHEMBL2860773-phosphonopropylamineAminopropylphosphonate3-AminopropylphosphonicacidUNII-VM92T06VPBNSC 133832Lopac-A-71623-aminopropanephosphonic acid

Database identifiers

CAS: 13138-33-5
PubChem CID: 97587
DTXSID: DTXSID50157018
ChEMBL: CHEMBL286077
ChEBI: CHEBI:142993
UNII: VM92T06VPB
EC Number: 625-723-4
Nikkaji: J236.443C

Properties

Computed structural properties

XLogP: -4.5
Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 98.7

Physicochemical properties

Melting point: 294 °C · 294 °C (dec.)(lit.)
Boiling point: 343 · 343.0±44.0 °C(Predicted)
Density: 1.378 · 1.378±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 5 mg/ml; · DMF: 5 mg/ml; DMSO: 2 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
pka: 2.11 · 2.11±0.10(Predicted)
form: Powder
color: Off-white to faintly greenish
Water Solubility: soluble
InChI: InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7)
InChIKey: GSZQTIFGANBTNF-UHFFFAOYSA-N
SMILES: P(CCCN)(=O)(O)O
FDA UNII: 92 T06VPB · VM92T06VPB
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29310099 · 29310099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 41 reports by companies from 4 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

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29310099
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses3-Aminopropylphosphonic acid was used as a selective antagonist of GABA(C) receptor.

General DescriptionThe relative nonspecific binding of the DNA-conjugated gold nanoparticles (AuNPs) to the indium-tin oxide electrodes modified with 3-aminopropylphosphonic acid was examined by measuring the electrocatalytic anodic current of hydrazine caused by the nonspecifically absorbed AuNPs.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

Additional notes · 1 item

DefinitionChEBI: (3-aminopropyl)phosphonic acid is a phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 3-aminopropyl group. It is a partial agonist of GABAB receptors. It has a role as a GABAB receptor agonist. It is a primary amino compound and a member of phosphonic acids. It is functionally related to a phosphonic acid. It is a tautomer of a (3-aminopropyl)phosphonic acid zwitterion.