Ethyl 2-aminopyridine-3-carboxylate

HCID 12433260CAS 13362-26-0

기본 정보

표준 SMILES: CCOC(=O)c1cccnc1N
InChIKey: KIAGEDYOPMHRRB-UHFFFAOYSA-N
분자식: C8H10N2O2
평균 분자량: 166.18 g/mol
단동위원소 질량: 166.07422756

이름 및 식별자

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

이름 및 동의어

13362-26-0Ethyl 2-aminopyridine-3-carboxylateDTXSID50498099RefChem:594212DTXCID60448909805-077-1Ethyl 2-aminonicotinate2-Amino-nicotinic acid ethyl ester2-aminonicotinic acid ethyl esterMFCD01569452ETHYL2-AMINONICOTINATE2-Amino nicotinic acid ethyl ester

이름 더 보기

AKOS 90517BUTTPARK 23\07-65RARECHEM AL BI 1234Nicorandil Impurity 47Ethyl2-Aminonicotinate>Nicotinic Acid Impurity 12Ethyl 2-aMinonicotinic acidEthyl 2-aminonicotinate ,97%

3-PYRIDINECARBOXYLIC ACID, 2-AMINO-, ETHYL ESTER2-Amino-3-pyridinecarboxylic Acid Ethyl Ester; 2-Amino-3-Ethyl 2-amino-nicotinateNicotinic Acid Impurity 10Nicotinic acid Impurity 10SCHEMBL181049SCHEMBL2874642KIAGEDYOPMHRRB-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 13362-26-0
PubChem CID: 12433260
DTXSID: DTXSID50498099
EC Number: 805-077-1
Nikkaji: J81.604C

물성

구조 계산 물성

XLogP: 2.2
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: 96 · 96-98°C
끓는 점: 133 °C/12mmHg · 133°C/12mmHg(lit.)
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): 4.84 · 4.84±0.36(Predicted)
물리적 상태: 고체
색상: 노란색
InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3,(H2,9,10)
InChIKey: KIAGEDYOPMHRRB-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC=C1C(OCC)=O

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.