1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
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기본 정보
- CAS
1892-57-5- 표준 SMILES
CCN=C=NCCCN(C)C- InChIKey
LMDZBCPBFSXMTL-UHFFFAOYSA-N- 분자식
- C8H17N3
- 평균 분자량
- 155.24 g/mol
- 단동위원소 질량
- 155.14224754
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 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 28 Ų
- 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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.
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