(4-메톡시-3,5-디메틸피리딘-2-일)메탄아민

(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine

HCID 14645997

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 130000-78-1
표준 SMILES: COc1c(C)cnc(CN)c1C
InChIKey: CNPVFVHYBKQINB-UHFFFAOYSA-N
분자식: C9H14N2O
평균 분자량: 166.22 g/mol
단동위원소 질량: 166.11061307

이름 및 식별자

우선 이름: (4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine
IUPAC: (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
현지명: (4-메톡시-3,5-디메틸피리딘-2-일)메탄아민
영어명: (4-methoxy-3,5-dimethylpyridin-2-yl)methanamine
분자식: C9H14N2O
분자량: 166.22

이름 및 동의어

(4-methoxy-3,5-dimethylpyridin-2-yl)methanamineRefChem:402917861-545-5130000-78-11-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine1-(4-methoxy-3,5-dimethylpyridin-2-yl)methanamineMFCD10686625(4-Methoxy-3,5-dimethylpyridin-2-yl)methylamine DiHCl2-Pyridinemethanamine, 4-methoxy-3,5-dimethyl-(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHANAMINE(4-methoxy-3,5-dimethyl-2-pyridyl)methylamine3,5-dimethyl-4-methoxy-2-aminomethylpyridine

이름 더 보기

(4-메톡시-3,5-디메틸피리딘-2-일)메탄아민4-methoxy-3,5-dimethyl-2-Pyridinemethanamine(4-methoxy-3,5-dimethylpyridin-2-yl)methylamine1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine(SALTDATA: 2HCl)

SCHEMBL1056427DTXSID70562569ALBB-004974SBB019473STK501510AKOS000216213SB54308DB-062718

데이터베이스 식별자

CAS: 130000-78-1
PubChem CID: 14645997
DTXSID: DTXSID70562569
EC Number: 861-545-5

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 48.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 140

물리화학적 성질

끓는 점: 120 °C · 120 °C(Press: 0.05 Torr)
밀도: 1.044 · 1.044±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.75 · 8.75±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.