N-메틸살리실아미드

N-Methylsalicylamide

HCID 74624CAS 1862-88-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNC(=O)c1ccccc1O
InChIKey: BCKXMQIYWWTZDP-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: N-Methylsalicylamide
IUPAC: 2-hydroxy-N-methylbenzamide
현지명: N-메틸살리실아미드
영어명: N-Methylsalicylamide
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

N-Methylsalicylamide2-Hydroxy-N-methylbenzamideSalicylmethylamideSalicylamide, N-methyl-Benzamide, 2-hydroxy-N-methyl-NSC 522443QCE3HZ1G0GN-Methyl-o-hydroxybenzamideN-Methyl-2-hydroxybenzamideBRN 1100579UNII-QCE3HZ1G0GNSC-522443

이름 더 보기

N-메틸살리실아미드WLN: QR BVM1n-methyl-salicylamid2-HYDROXY-N-METHYL-BENZAMIDEBenzamide, 2-hydroxy-N-methyl- (9CI)

DTXSID801718683-10-00-00152 (Beilstein Handbook Reference)Benzoic amide, 2-hydroxy-N-methyl-RefChem:163896DTXCID1094359Benzamide, 2-hydroxy-N-methyl-(9CI)833-635-4BCKXMQIYWWTZDP-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 1862-88-0
PubChem CID: 74624
DTXSID: DTXSID80171868
ChEMBL: CHEMBL5590697
UNII: QCE3HZ1G0G
EC Number: 833-635-4
Nikkaji: J48.305B

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 89 °C · 89 °C
끓는 점: 335.8 · 335.8±25.0 °C(Predicted)
밀도: 1.179 · 1.179±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 8.48 · 8.48±0.35(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

독성: rat,LD50,intraperitoneal,350mg/kg (350mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 450, 1953.
HS 번호: 2924297099
risk_code: 41
safety_code: 26-39