NT-부틸-3-메틸피리딘-2-카르복사미드

N-tert-Butyl-3-methylpyridine-2-carboxamide

HCID 5463796CAS 32998-95-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccnc1C(=O)NC(C)(C)C
InChIKey: XYBOIZQGIVYRFV-UHFFFAOYSA-N
분자식: C11H16N2O
평균 분자량: 192.26 g/mol
단동위원소 질량: 192.12626313

이름 및 식별자

우선 이름: N-tert-Butyl-3-methylpyridine-2-carboxamide
IUPAC: N-tert-butyl-3-methylpyridine-2-carboxamide
현지명: NT-부틸-3-메틸피리딘-2-카르복사미드
영어명: N-t-Butyl-3-methyl pyridine-2-carboxamide
분자식: C11H16N2O
분자량: 192.26

이름 및 동의어

N-tert-Butyl-3-methylpyridine-2-carboxamideN-tert-Butyl-3-methylpicolinamideEC 406-720-5DTXSID40420182N-(1,1-dimethylethyl)-3-methyl-2-pyridinecarboxamideRefChem:831146DTXCID40371029406-720-5620-531-732998-95-1N-(tert-Butyl)-3-methylpicolinamideMFCD04108091

이름 더 보기

NT-부틸-3-메틸피리딘-2-카르복사미드PICOLINAMIDE,N-TERT-BUTYL-3-METHYLN-(TERT-BUTYL)-3-METHYLPYRIDINE-2-CARBOXAMIDEN-(tert-butyl)-3-methyl-2-pyridinecarboxamideN-tert-Butyl-3-methylpicolinamide, CAS 32998-95-1

N-T-BUTYL-3-METHYL PYRIDINE-2-CARBOXAMIDE3-Methyl-pyridine-2-carboxylic acid tert-butylamide2-Pyridinecarboxamide, N-(1,1-dimethylethyl)-3-methyl-SCHEMBL4605525SCHEMBL30853475HBA99895AKOS005064513DH-0711

데이터베이스 식별자

CAS: 32998-95-1
PubChem CID: 5463796
DTXSID: DTXSID40420182
EC Number: 406-720-5、620-531-7
Nikkaji: J2.413.048G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 42 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 208

물리화학적 성질

녹는점: 58 °C · 58.0 °C
끓는 점: 333.4 · 333.4±30.0 °C(Predicted)
밀도: 1.018 · 1.018±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 13.91 · 13.91±0.46(Predicted)
InChI: 1S/C11H16N2O/c1-8-6-5-7-12-9(8)10(14)13-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKey: XYBOIZQGIVYRFV-UHFFFAOYSA-N
SMILES: O=C(NC(C)(C)C)C1=NC=CC=C1C

안전 및 규제

GHS 분류

GHS Classification · 6건

H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Warning

H302 (15.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.