tert-부틸4-(아미노카르보티오일)테트라히드로피리딘-1(2H)-카르복실레이트

tert-Butyl 4-carbamothioylpiperidine-1-carboxylate

HCID 2735648CAS 214834-18-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(C(N)=S)CC1
InChIKey: SCGQNJHAAYUQOO-UHFFFAOYSA-N
분자식: C11H20N2O2S
평균 분자량: 244.36 g/mol
단동위원소 질량: 244.12454888

이름 및 식별자

우선 이름: tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-carbamothioylpiperidine-1-carboxylate
현지명: tert-부틸4-(아미노카르보티오일)테트라히드로피리딘-1(2H)-카르복실레이트
영어명: tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate
분자식: C11H20N2O2S
분자량: 244.36

이름 및 동의어

214834-18-1tert-butyl 4-carbamothioylpiperidine-1-carboxylateDTXSID40370855RefChem:383597DTXCID60321889692-212-0tert-Butyl 4-(Aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate1-tert-Butoxycarbonylpiperidine-4-carbothioamideMFCD02180954C11H20N2O2STERT-BUTYL 4-THIOCARBAMOYLPIPERIDINE-1-CARBOXYLATEPiperidine-4-thiocarboxamide, N1-BOC protected

이름 더 보기

tert-부틸4-(아미노카르보티오일)테트라히드로피리딘-1(2H)-카르복실레이트BUTTPARK 146\06-96N-Boc-4-PiperidinecarbothioaMideN-BOC-piperidine-4-carbothioamideN1-BOC-PIPERIDINE-4-THIOCARBOXAMIDE4-Carbamothioylpiperidine, N1-BOC protectedPIPERIDINE-4-THIOCARBOXAMIDE, 1-BOC PROTECTED

N-BOC-Piperidine-4-thiocarboxamide1-Boc-4-thiocarbamoylpiperidinetert-butyl 4-(aminothioxomethyl)piperidinecarboxylate1-Boc-piperidine-4-carbothioamidetert-butyl 4-Thiocarbamoyl-piperidine-1-carboxylateSCHEMBL163922tert-butyl 4-(aminocarbonothioyl)piperidine-1-carboxylateSCGQNJHAAYUQOO-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 214834-18-1
PubChem CID: 2735648
DTXSID: DTXSID40370855
EC Number: 692-212-0

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 87.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 130 °C · 130 °C
끓는 점: 356 · 356.0±52.0 °C(Predicted)
밀도: 1.158 · 1.158±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 13.03 · 13.03±0.20(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.