3-피리딜아미독심

N-Hydroxynicotinimidamide

HCID 308113CAS 1594-58-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=NO)c1cccnc1
InChIKey: AQBMQGDKWIPBRF-UHFFFAOYSA-N
분자식: C6H7N3O
평균 분자량: 137.14 g/mol
단동위원소 질량: 137.05891186

이름 및 식별자

우선 이름: N-Hydroxynicotinimidamide
IUPAC: N'-hydroxypyridine-3-carboximidamide
현지명: 3-피리딜아미독심
영어명: 3-Pyridylamidoxime
분자식: C6H7N3O
분자량: 137.14

이름 및 동의어

1594-58-7N-Hydroxynicotinimidamide3-PyridylamidoximeN-hydroxypyridine-3-carboximidamideN'-Hydroxy-3-pyridinecarboximidamideN'-hydroxynicotinimidamideNicotinamidoximeNicotinamide oxime1217433-56-1MFCD00125875N-Hydroxynicotinamidinen-hydroxy-nicotinamidine

이름 더 보기

3-피리딜아미독심3-피리딜아마이독심AKOS B030080BUTTPARK 33\04-45RARECHEM BG FB 0128Pyridine-3-amidoxime3-Pyridylamide oximePyridin-3-ylamidoxime3-Pyridylamidoxime 98%

Pyridine-3-carboxamide oxime3-pyridinamidoxime3-PyridinecarboxamidoximeN-hydroxy-nicotinimidamide(E)-N-hydroxynicotinimidamide(Z)-N-hydroxynicotinimidamideSCHEMBL283481SCHEMBL283482

데이터베이스 식별자

CAS: 1594-58-7
PubChem CID: 308113
EC Number: 625-116-4

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 71.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 135

물리화학적 성질

녹는점: 130 · 130-135 °C (lit.)
끓는 점: 278.2 · 278.2±32.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml; Ethanol: 3 mg/ml; PBS (pH 7.2): 1.5 mg/ml
물리적 상태: powder to crystal
산도 계수 (pKa): 13.22 · 13.22±0.50(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C6H7N3O/c7-6(9-10)5-2-1-3-8-4-5/h1-4,10H,(H2,7,9)
InChIKey: AQBMQGDKWIPBRF-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1C(NO)=N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38-34
hazard_code: Xi,C
safety_code: 26-36-37/39-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Pyridylamidoxime may be used in the synthesis of 3-(3-pyridyl)-5-trichloromethyl-1,2,4-oxadiazole.

일반 설명3-Pyridylamidoxime (pyridine-3-amidoxime, Py-3-AO) can be synthesized from the reaction between hydroxylamine hydrochloride, sodium hydroxide and 3-cyanopyridine (dissolved in ethanol).