3-Aminopropylphosphonic acid

HCID 97587CAS 13138-33-5

기본 정보

표준 SMILES: NCCCP(=O)(O)O
InChIKey: GSZQTIFGANBTNF-UHFFFAOYSA-N
분자식: C3H10NO3P
평균 분자량: 139.09 g/mol
단동위원소 질량: 139.03982981

개요

(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.

이름 및 식별자

우선 이름: 3-Aminopropylphosphonic acid
IUPAC: 3-aminopropylphosphonic acid
영어명: 3-Aminopropylphosphonic acid
분자식: C3H10NO3P
분자량: 139.09

이름 및 동의어

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

이름 더 보기

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

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -4.5
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 98.7

물리화학적 성질

녹는점: 294 °C · 294 °C (dec.)(lit.)
끓는 점: 343 · 343.0±44.0 °C(Predicted)
밀도: 1.378 · 1.378±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 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
산도 계수 (pKa): 2.11 · 2.11±0.10(Predicted)
물리적 상태: 가루
색상: 황백색에서 약간 녹색
수용성: 녹는
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

화학적 성질

Off-white to faintly greenish powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29310099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도3-Aminopropylphosphonic acid was used as a selective antagonist of GABA(C) receptor.

일반 설명The 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.