4-피리딘메탄아민,2-메톡시-(9CI)

(2-Methoxypyridin-4-yl)methanamine

HCID 16227983CAS 148900-69-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(CN)ccn1
InChIKey: UQAHBOKPZNLKRF-UHFFFAOYSA-N
분자식: C7H10N2O
평균 분자량: 138.17 g/mol
단동위원소 질량: 138.07931295

이름 및 식별자

우선 이름: (2-Methoxypyridin-4-yl)methanamine
IUPAC: (2-methoxy-4-pyridinyl)methanamine
현지명: 4-피리딘메탄아민,2-메톡시-(9CI)
영어명: 4-Pyridinemethanamine,2-methoxy-(9CI)
분자식: C7H10N2O
분자량: 138.17

이름 및 동의어

(2-methoxypyridin-4-yl)methanamineRefChem:396025826-895-5148900-69-04-PYRIDINEMETHANAMINE, 2-METHOXY-(2-METHOXY-4-PYRIDYL)METHANAMINE(2-methoxypyridin-4-yl)methylamineMFCD090546794-(Aminomethyl)-2-methoxypyridine4-Pyridinemethanamine,2-methoxy-(9CI)1-(2-METHOXYPYRIDIN-4-YL)METHANAMINE4-AMINOMETHYL-2-METHOXYPYRIDINE

이름 더 보기

4-피리딘메탄아민,2-메톡시-(9CI)(2-Methoxypyridin-4-yl)4-Aminomethyl-2-methoxypy...2-Methoxy-4-PyridineMethanaMine

CHEMBL4066086(2-methoxy-4-pyridinyl)methanamine2-Methoxy-4-pyridinemethylamineC-(2-Methoxy-pyridin-4-yl)-methylamineSCHEMBL4492002-methoxy4-aminomethylpyridineF2147-1549DTXSID40585482

데이터베이스 식별자

CAS: 148900-69-0
PubChem CID: 16227983
DTXSID: DTXSID40585482
ChEMBL: CHEMBL4066086
EC Number: 826-895-5

물성

구조 계산 물성

XLogP: 0
극성 표면적: 48.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 97

물리화학적 성질

끓는 점: 240.6 · 240.6±25.0 °C(Predicted)
밀도: 1.09 · 1.090±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 7.41 · 7.41±0.29(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)