Ethyl 3-aminopyridine-2-carboxylate

HCID 565054CAS 27507-15-9

기본 정보

표준 SMILES: CCOC(=O)c1ncccc1N
InChIKey: FKDRDUIRSZRBSN-UHFFFAOYSA-N
분자식: C8H10N2O2
평균 분자량: 166.18 g/mol
단동위원소 질량: 166.07422757

이름 및 식별자

우선 이름: Ethyl 3-aminopyridine-2-carboxylate
IUPAC: ethyl 3-aminopyridine-2-carboxylate
영어명: 3-Aminopyridine-2-carboxylic acid ethyl ester
분자식: C8H10N2O2
분자량: 166.18

이름 및 동의어

ethyl 3-aminopyridine-2-carboxylateRefChem:594871820-432-0Ethyl 3-aminopicolinate27507-15-93-Aminopyridine-2-carboxylic acid ethyl ester2-Pyridinecarboxylic acid, 3-amino-, ethyl esterMFCD00661294Ethyl 3-amino-2-pyridinecarboxylateethyl3-aminopicolinateethyl 3-amino-2-pethyl 3-amino-2-picolinate

이름 더 보기

3-Aminopicolinic acid ethyl esterPicolinic acid, 3-amino-, ethyl ester3-AMino-2-pyridinecarboxylic Acid Ethyl Ester3-Aminopyridine-2-carboxylic acid ethyl ester ISO 9001：2015 REACH

SCHEMBL1187172SCHEMBL29922777DTXSID90340482CS-D1583AKOS000280856AB06627Ethyl 3-amino-2-pyridinecarboxylate #FS-3731

데이터베이스 식별자

CAS: 27507-15-9
PubChem CID: 565054
DTXSID: DTXSID90340482
EC Number: 820-432-0
Nikkaji: J88.499E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 131 · 131-133 °C
끓는 점: 326.2 · 326.2±22.0 °C(Predicted)
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 2.79 · 2.79±0.10(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)

Aggregated GHS information provided per 2 reports by companies from 2 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.