CAS 259180-79-5 1,1-Dimethylethyl N-[1-(2-aminoethyl)-4-piperidinyl]carbamate (HCID 23562647)

기본 정보

CAS: 259180-79-5
표준 SMILES: CC(C)(C)OC(=O)NC1CCN(CCN)CC1
InChIKey: OKJWSGAHIGPUIG-UHFFFAOYSA-N
분자식: C12H25N3O2
평균 분자량: 243.35 g/mol
단동위원소 질량: 243.19467705

이름 및 식별자

우선 이름: 1,1-Dimethylethyl N-[1-(2-aminoethyl)-4-piperidinyl]carbamate
IUPAC: tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]carbamate
현지명: [1-(2-아미노-에틸)-피페리딘-4-일]-카르바믹산tert-부틸에스테르
영어명: [1-(2-AMino-ethyl)-piperidin-4-yl]-carbaMic acid tert-butyl ester
분자식: C12H25N3O2
분자량: 243.35

이름 및 동의어

259180-79-51,1-Dimethylethyl N-[1-(2-aminoethyl)-4-piperidinyl]carbamate1,1-Dimethylethyl N-(1-(2-aminoethyl)-4-piperidinyl)carbamateRefChem:213981tert-Butyl (1-(2-aminoethyl)piperidin-4-yl)carbamate[1-(2-Amino-ethyl)-piperidin-4-yl]-carbamic acid tert-butyl esterMFCD18373985tert-butyl N-[1-(2-aminoethyl)piperidin-4-yl]carbamate1-(2-Aminoethyl)-4-(Boc-amino)piperidine2-[4-(Boc-amino)-1-piperidyl]ethylaminetert-Butyl [1-(2-aminoethyl)piperidin-4-yl]carbamateorb3175461

이름 더 보기

[1-(2-아미노-에틸)-피페리딘-4-일]-카르바믹산tert-부틸에스테르Carbamic acid, N-[1-(2-aminoethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester

SCHEMBL7222795OKJWSGAHIGPUIG-UHFFFAOYSA-NDTXSID401182095AKOS012937618SB43438DS-18700SY037792DB-249027

데이터베이스 식별자

CAS: 259180-79-5

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 67.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 17
형식 전하: 0
복잡도: 243

물리화학적 성질

저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.