기본 정보
- CAS
2041-14-7- 표준 SMILES
NCCP(=O)(O)O- InChIKey
QQVDJLLNRSOCEL-UHFFFAOYSA-N- 분자식
- C2H8NO3P
- 평균 분자량
- 125.06 g/mol
- 단동위원소 질량
- 125.02417975
개요
(2-aminoethyl)phosphonic acid is a phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. It has a role as a metabolite, a mouse metabolite and a human metabolite. 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 (2-aminoethyl)phosphonic acid zwitterion.
이름 및 식별자
- 우선 이름
- (2-Aminoethyl)phosphonic acid
- IUPAC
- 2-aminoethylphosphonic acid
- 영어명
- (2-Aminoethyl)phosphonic acid
- 분자식
- C2H8NO3P
- 분자량
- 125.06
이름 및 동의어
(2-Aminoethyl)phosphonic acid2041-14-72-aminoethylphosphonic acidCiliatinePhosphonoethylamineAMINOETHYLPHOSPHONIC ACID(2-Aminoethane)phosphonic acidPhosphonic acid, (2-aminoethyl)-beta-Aminoethylphosphonic acidAH00YJQ334NSC-133837CHEBI:15573
이름 더 보기
2-AEP2-Aminoethyl-phosphonate2-Amnoethylphosphonic Acid2-Aminoethanephosphonic acid(2-aminethyl)phosphonic acid2-AMinoethylphosphonic acid 99%(2-Aminoethyl)phosphonic acid,99%Phosphonic acid, P-(2-aminoethyl)-
DTXSID101743622-azaniumylethyl(hydroxy)phosphinateRefChem:388791Acid, Aminoethylphosphonic2 Aminoethylphosphonic AcidAcid, 2-AminoethylphosphonicDTXCID0096853218-043-0
데이터베이스 식별자
- CAS
2041-14-7- PubChem CID
- 339
- DTXSID
DTXSID10174362
물성
구조 계산 물성
- XLogP
- -4.8
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 86.9
실험 및 물리화학적 성질
Physical DescriptionSolid
Collision Cross Section
129 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
118.25 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
132.21 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
130.1 Ų [M+H]+
물리화학적 성질
- 녹는점
- 296 °C · 296 °C (dec.) (lit.)
- 끓는 점
- 352.5 · 352.5±44.0 °C(Predicted)
- 밀도
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 50 mg/mL, · 물: 용해성50mg/mL, 투명, 무색
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 1 · pK1: 2.45(+1) ;pK2: 7.0(0);pK3: 10.8(-1) (25°C)
- 색상
- 흰색에서 베이지색
- 수용성
- 녹는
- InChI
- InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
- InChIKey
- QQVDJLLNRSOCEL-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 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
- 29319000
- risk_code
- 36/38-36/37/38
- hazard_code
- Xi
- safety_code
- 26-24/25
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-Aminoethylphosphonic acid was used as a growth medium for the marine bacterium Roseovarius nubinhibens ISM.
일반 설명The surface of gold nanoparticles (Au NPs) were functionalized with 2-aminoethylphosphonic acid that exhibited calcium affinity which enabled targeted delivery of Au NPs to calcified tissue.
상·하류 제품 정보
상류 원료
공급사73 곳
관련 반응
3건
화합물 노트
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