기본 정보
- 표준 SMILES
Nc1ccccc1CC(=O)O- InChIKey
KHMNCHDUSFCTGK-UHFFFAOYSA-N- 분자식
- C8H9NO2
- 평균 분자량
- 151.16 g/mol
- 단동위원소 질량
- 151.06332853
개요
2-aminophenylacetic acid is a member of the class of phenylacetic acids that is phenylacetic acid which carries an amino group at position 2 of the phenyl ring. A fungal metabolite produced by Colletotrichum gloeosporioides. It has a role as a fungal metabolite. It is a member of phenylacetic acids and a substituted aniline.
이름 및 식별자
- 우선 이름
- 2-Aminophenylacetic acid
- IUPAC
- 2-(2-aminophenyl)acetic acid
- 영어명
- 2-AMINOPHENYLACETIC ACID
- 분자식
- C8H9NO2
- 분자량
- 151.16
이름 및 동의어
2-Aminophenylacetic acid3342-78-7(2-Aminophenyl)acetic acid2-amino-benzeneacetic acidCHEBI:149652DTXSID50342684RefChem:465184DTXCID10293764621-176-02-(2-aminophenyl)acetic acidBenzeneacetic acid, 2-amino-MFCD03701521
이름 더 보기
RARECHEM AL BO 1334O-AMINOPHENYLACETIC ACID2-AMINOPHENYLACETIC ACID,98+%2-AMINOPHENYLACETIC ACID 95%Benzeneacetic acid, 2- aMino-2-phenylacetic acid amino ester2-AMINOPHENYLACETIC ACID USP/EP/BP
2-aminophenylaceticacid2-Aminophenacetic acidDiclofenac Impurity 682-amino-phenyl-acetic acidSCHEMBL72851Discontinued See I627300(2-Aminophenyl)acetic acid #SCHEMBL1441908
데이터베이스 식별자
- CAS
3342-78-7- PubChem CID
- 583776
- DTXSID
DTXSID50342684- ChEBI
CHEBI:149652- EC Number
- 621-176-0
- Nikkaji
- J27.581F
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 147
물리화학적 성질
- 녹는점
- 123 · 123-127 °C(lit.)
- 끓는 점
- 344.4 · 344.4±17.0 °C(Predicted)
- 밀도
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- 저장 조건
- RT, protect from light
- 산도 계수 (pKa)
- 4.38 · 4.38±0.10(Predicted)
- 물리적 상태
- solid
- 안정성
- 감광성
- InChI
- 1S/C8H9NO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
- InChIKey
- KHMNCHDUSFCTGK-UHFFFAOYSA-N
- SMILES
- Nc1ccccc1CC(O)=O
화학적 성질
Brownish Yellow Solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (97.4%): 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 39 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 (97.4%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38-36
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2-Aminophenylacetic acid is a useful synthetic intermediate.
상·하류 제품 정보
상류 원료
하류 제품
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