1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide (HCID 15908)

개요

Carbodiimide cross-linking reagent.

이름 및 식별자

우선 이름: 1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
IUPAC: 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine
영어명: 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide
분자식: C8H17N3
분자량: 155.24

이름 및 동의어

1892-57-5EDACEDCIETHYLDIMETHYLAMINOPROPYL CARBODIIMIDERJ5OZG6I4A1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-1-Ethyl-3-(3-(dimethylamino)propyl)carbodiimide1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideDTXSID608652583-(3-dimethylaminopropyl)-1-ethylcarbodiimide1-ethyl-3-[3-(dimethylamino)propyl]carbodiimideEDAP-Carbodiimide

이름 더 보기

1-ETHYL-3-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDEWSCIWSCD({[3-(dimethylamino)propyl]imino}methylidene)(ethyl)amine1-(3-Dimethylaminopropyl)-3-WATER-SOLUBLE CARBODIIMIDE

EDAP CarbodiimideRefChem:596586DTXCID90813686Carbodiimide, Ethyldimethylaminopropyl217-579-21-(3-DIMETHYLAMINOPROPYL)-3-ETHYLCARBODIIMIDEN1-((Ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide

데이터베이스 식별자

CAS: 1892-57-5
PubChem CID: 15908
DTXSID: DTXSID60865258
ChEMBL: CHEMBL1397523
UNII: RJ5OZG6I4A
EC Number: 217-579-2
Nikkaji: J7.804B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 28 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 11
형식 전하: 0
복잡도: 134

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Biochemical Research

Physical DescriptionLiquid; [Merck Index] Colorless to pale yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점: 66 · 66-68°C/1mm
밀도: 0.877 g/mL · 0.877 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.461
인화점: 66 · 66-68°C/1mm
저장 조건: -20 °C · -20°C
용해도: 클로로포름에 용해됨
산도 계수 (pKa): 9.52 · 9.52±0.28(Predicted)
물리적 상태: 액체
Specific Gravity: 0.885 · 0.885
색상: 무색~약간 노란색
수용성: 물에 용해됩니다.
BRN: 507429 · 507429
주요 응용: 펩타이드 합성
InChI: 1S/C8H17N3/c1-4-9-8-10-6-5-7-11(2)3/h4-7H2,1-3H3
InChIKey: LMDZBCPBFSXMTL-UHFFFAOYSA-N
SMILES: CCN=C=NCCCN(C)C
NIST: 1 · 1,3-Propanediamine, n'-(ethylcarbonimidoyl)-n,n-dimethyl-(1892-57-5)
EPA: 1 · 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl- (1892-57-5)

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (32.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 62 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCorrosive; [Merck Index] Causes burns; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (32.3%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
HS 번호: 29252900
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 1-3-10
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1ASkin Sens. 1ASTOT RE 2 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

UsesUsed in crosslinking proteins to nucleic acids and DNA labeling in immunoconjugate preparations; [Merck Index]

General Manufacturing Information1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-: ACTIVE

응용 분야 · 2건

용도1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide is used as a carboxyl activating agent and activate phosphate groups in phospho mono and di esters. It is used in peptide synthesis, 3'-amino-3'-deoxyadenosine-5'-di- and triphosphates and in the preparation of antibodies like immunoconjugates. It plays a vital role for immobilization of large biomolecules in association with N-hydroxysuccinimide. It is also used in the acylation of phosphoranes.

일반 설명N-(3-Dimethylaminopropyl)-N′-ethylcarbodiimide is commonly used in combination with N-hydroxysuccinimide (NHS) in carbodiimide coupling reaction to activate carboxyl group for coupling with amines to form amides.