N-Boc-카다베린

N-(tert-Butoxycarbonyl)-1,5-diaminopentane

HCID 4352CAS 51644-96-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCCCCCN
InChIKey: DPLOGSUBQDREOU-UHFFFAOYSA-N
분자식: C10H22N2O2
평균 분자량: 202.29 g/mol
단동위원소 질량: 202.16812794

이름 및 식별자

우선 이름: N-(tert-Butoxycarbonyl)-1,5-diaminopentane
IUPAC: tert-butyl N-(5-aminopentyl)carbamate
현지명: N-Boc-카다베린
영어명: N-Boc-cadaverine
분자식: C10H22N2O2
분자량: 202.29

이름 및 동의어

51644-96-3N-(tert-Butoxycarbonyl)-1,5-diaminopentaneRefChem:828673629-297-0N-Boc-cadaverineN-Boc-1,5-diaminopentanetert-butyl (5-aminopentyl)carbamatetert-Butyl N-(5-aminopentyl)carbamateNH2-C5-NH-BocN-(5-Aminoamyl)carbamic Acid tert-Butyl Ester1-Boc-Amino-1,5-pentanediamineMFCD00210020

이름 더 보기

N-Boc-카다베린TERT-BUTYL N-(5-AMINOAMYL)CARBAMATEBOC-DAPE-OHBOC-DAPE HCLPROTAC Linker 23Boc-DAPe-OH, liq.Boc-NH-(CH2)5-NH2BOC-NH(CH2)5NH2 HCL

N-Boc-1,5-pentanediamineboc-1,5-diaminopentaneCarbamic acid, (5-aminopentyl)-, 1,1-dimethylethyl esterN-1-Boc-1,5-diaminopentane HClN-(tert-Butoxycarbonyl)-1,5-pentanediamineN-(5-Aminopentyl)carbamic Acid tert-Butyl Estertert-butyl(5-aminopentyl)carbamateN-Boc cadaverine

데이터베이스 식별자

CAS: 51644-96-3
PubChem CID: 4352
DTXSID: DTXSID90274430
EC Number: 629-297-0
Nikkaji: J1.822.080F

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 14
형식 전하: 0
복잡도: 164

물리화학적 성질

끓는 점: 309.2 · 309.2±25.0 °C(Predicted)
밀도: 0.972 g/mL · 0.972 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.460
인화점: 109 °C · 109 °C
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
산도 계수 (pKa): 12.91 · 12.91±0.46(Predicted)
물리적 상태: 기름
색상: 노란색
BRN: 3603658 · 3603658
InChI: InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKey: DPLOGSUBQDREOU-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCCCCCN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 3
HS 번호: 2924190090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: Ⅲ
위험 등급: 8
F 고인화성물질: 10-34
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Some of the reported applications of N-Boc-cadaverine include:Synthesis of of a supermacrocycle that self-assemble to form organic nanotubes.Preparation of water-soluble unsymmetrical sulforhodamine fluorophores from monobrominated sulfoxanthene dye.Synthesis of functionalized porphyrins as biocompatible carrier system for photodynamic therapy (PDT).