2-Methoxypyrimidin-5-amine

HCID 352904CAS 56621-89-7

기본 정보

표준 SMILES: COc1ncc(N)cn1
InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N
분자식: C5H7N3O
평균 분자량: 125.13 g/mol
단동위원소 질량: 125.05891186

이름 및 식별자

우선 이름: 2-Methoxypyrimidin-5-amine
IUPAC: 2-methoxypyrimidin-5-amine
영어명: 2-Methoxypyrimidin-5-amine
분자식: C5H7N3O
분자량: 125.13

이름 및 동의어

2-methoxypyrimidin-5-amine56621-89-75-Amino-2-methoxypyrimidineMFCD082348785-PYRIMIDINAMINE, 2-METHOXY-NSC5287292-methoxypyrimidine-5-amineSCHEMBL115475DTXSID203264762-methoxy-5-pyrimidinamineAMY15645BCP22071

이름 더 보기

5-Pyrimidinamine, 2-methoxy5-Pyrimidinamine, 2-methoxy- (9CI)2-Methoxypyrimidin-5-amine ISO 9001：2015 REACH2-Methoxypyrimidin-5-amine, 5-Amino-2-methoxy-1,3-diazine

2-methoxypyrimidine-5-ylamineSCHEMBL4056682CS-D161CS-D1615SBB0519542-METHOXY-PYRIMIDIN-5-YLAMINEAKOS010387989AB43671

데이터베이스 식별자

CAS: 56621-89-7
PubChem CID: 352904
DTXSID: DTXSID20326476
EC Number: 639-355-7
Nikkaji: J3.759.373G

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 61 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 80

물리화학적 성질

녹는점: 119 · 119-120 °C(Solv: benzene (71-43-2))
끓는 점: 294.4 · 294.4±32.0 °C(Predicted)
밀도: 1.224 · 1.224±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 2.49 · 2.49±0.22(Predicted)
InChI: InChI=1S/C5H7N3O/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N
SMILES: C1(OC)=NC=C(N)C=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): 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.