N-(Carboxymethyl)-N-(phosphonomethyl)glycine
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기본 정보
- CAS
5994-61-6- 표준 SMILES
O=C(O)CN(CC(=O)O)CP(=O)(O)O- InChIKey
AZIHIQIVLANVKD-UHFFFAOYSA-N- 분자식
- C5H10NO7P
- 평균 분자량
- 227.11 g/mol
- 단동위원소 질량
- 227.01948829
개요
N-(phosphonomethyl)iminodiacetic acid is a tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent. It is a glycine derivative, a member of phosphonic acids, an amino dicarboxylic acid and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- N-(Carboxymethyl)-N-(phosphonomethyl)glycine
- IUPAC
- 2-[carboxymethyl(phosphonomethyl)amino]acetic acid
- 영어명
- N-(Carboxymethyl)-N-(phosphonomethyl)-glycine
- 분자식
- C5H10NO7P
- 분자량
- 227.11
이름 및 동의어
5994-61-6N-(Carboxymethyl)-N-(phosphonomethyl)glycineN-(phosphonomethyl)iminodiacetic acidPhosphonomethyliminodiacetic acid2,2'-[(phosphonomethyl)imino]diacetic acidGlycine, N-(carboxymethyl)-N-(phosphonomethyl)-PMIDACHEBI:63485AN335F415XEINECS 227-824-5DTXSID3027611EC 227-824-5
이름 더 보기
BisphosphineN-Phosphonomethyl aminodiacetic acidN-(PHOSPHONOMETHYL)IMINODIACETIC ACID MONOHYDRATEPMIDN-(PhosphonoMeTwo Gan phosphine2,2'-((Phosphonomethyl)N-(Phosphonomethyl)diglycine
NITRILOTRIS(METHYLENE) TRIPHONIC ACIDAMINOMETHYLPHOSPHONIC N,N-DIACETIC ACIDNITRILODIACETIC ACID METHYLPHOSPHONIC ACIDACETIC ACID, ((PHOSPHONOMETHYL)IMINO)DI-2,2'-((phosphonomethyl)imino)diacetic acidRefChem:828383DTXCID607611227-824-5
데이터베이스 식별자
- CAS
5994-61-6
물성
구조 계산 물성보충 중
- XLogP
- -4.6
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 255
실험 및 물리화학적 성질
Physical DescriptionDry Powder; Wet Solid
물리화학적 성질
- 녹는점
- 215 °C · 215 °C (dec.)(lit.)
- 끓는 점
- 585.9 · 585.9±60.0 °C(Predicted)
- 밀도
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 45℃
- 저장 조건
- RT, protect from light
- 용해도
- 수용성 염기(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 수정 같은
- 산도 계수 (pKa)
- 0.9 · 0.90±0.10(Predicted)
- BRN
- 1795744 · 1795744
- 안정성
- 흡습성
- InChI
- InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
- InChIKey
- AZIHIQIVLANVKD-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CN(CC(O)=O)CP(O)(O)=O
- EPA
- Phosphonomethyliminodiacetic acid (5994-61-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (95.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-
Glycine, N-(carboxymethyl)-N-(phosphonomethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N-(carboxymethyl)-N-(phosphonomethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/13577
Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Corr. 1B (95.1%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 3
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard Classifications
- Eye Dam. 1STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000,000 - <2,500,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
Not Known or Reasonably Ascertainable
Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-: ACTIVE
응용 분야
용도N-(Carboxymethyl)-N-(phosphonomethyl)-glycine is used in surface modification of cobalt oxide nanoparticle to overcome any toxic effect while functioning as cancer antigen carrier.
일반 설명N-(Phosphonomethyl)iminodiacetic acid hydrate is the hydrated form of N-(phosphonomethyl)iminodiacetic acid (PMIDA; H4pmida). The solubility of PMIDA in various solvents and solvent mixtures has been studied. It is the starting material for the synthesis of N-(phosphonomethyl)iminodiacetate (pmida4-), a multidentate organic ligand. PMIDA undergoes molecular oxygen oxidation in the presence of metal salts to form N-(phosphonomethyl)glycine, also known as glyphosate. H4pmida forms the structural unit of various three-dimensional inorganic-organic hybrid compounds.
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