N-[(2,4-디클로로페녹시)-메톡시-포스피노티오일]프로판-2-아민

Zytron

HCID 9299CAS 299-85-4

기본 정보

표준 SMILES: COP(=S)(NC(C)C)Oc1ccc(Cl)cc1Cl
InChIKey: PJFGPJQBWSEWKX-UHFFFAOYSA-N
분자식: C10H14Cl2NO2PS
평균 분자량: 314.17 g/mol
단동위원소 질량: 312.98599168

개요

Zytron (DMPA) is under investigation for the treatment and health services research of HIV, Lactation, Contraception, Postpartum Depression, and Immune Cells (Mucosal and Systemic). DMPA has been investigated for the prevention, treatment, and basic science of Weight and Microbiota.

이름 및 식별자

우선 이름: Zytron
IUPAC: N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
현지명: N-[(2,4-디클로로페녹시)-메톡시-포스피노티오일]프로판-2-아민
영어명: N-[(2,4-dichlorophenoxy)-methoxy-phosphinothioyl]propan-2-amine
분자식: C10H14Cl2NO2PS
분자량: 314.17

이름 및 동의어

Zytron299-85-4Dowco 118DMPA (herbicide)Zytron HerbicideDow 1329O-(2,4-Dichlorophenyl) O-methyl isopropylphosphoramidothioateOMS 115ENT 25647Phosphoramidothioic acid, (1-methylethyl)-, O-(2,4-dichlorophenyl) O-methyl esterIK51552IFHK 22023

이름 더 보기

N-[(2,4-디클로로페녹시)-메톡시-포스피노티오일]프로판-2-아민OMS115Dow-1329Ai3-25647Brn 2143189Caswell no. 323

OMS-115ENT-25647DTXSID1058052O-(2,4-dichlorophenyl)-O-methyl-isopropylphosphoramidothioateK-22023[(2,4-dichlorophenoxy)(methoxy)sulfanylidene-lambda5-phosphanyl](propan-2-yl)amine((2,4-dichlorophenoxy)(methoxy)sulfanylidene-lambda5-phosphanyl)(propan-2-yl)amineRefChem:196308

데이터베이스 식별자

CAS: 299-85-4
PubChem CID: 9299
DTXSID: DTXSID1058052
UNII: IK51552IFH
Nikkaji: J5.471B、J57.963G、J57.964E

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 62.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 293

실험 및 물리화학적 성질

PesticidesPesticides -> Herbicides, Chlorophenoxy

LogP4.3

Vapor Pressure0.0000614 [mmHg]

Physical DescriptionSolid; [Merck Index]

물리화학적 성질

녹는점: 51.4 ° · 51.4°
끓는 점: 355.5 · 355.5±52.0 °C(Predicted)
밀도: 1.34 · 1.340±0.06 g/cm3(Predicted)
산도 계수 (pKa): -1.12 · -1.12±0.70(Predicted)
수용성: 5 mg/L · 5mg/L(25℃)
EPA: O-(2,4-Dichlorophenyl) O-methyl isopropylphosphoramidothioate (299-85-4)