N'-(에틸카본이미도일)-N,N-디메틸1,3-프로판디아민 모노염산염

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

HCID 2723939CAS 25952-53-8

기본 정보

표준 SMILES
CCN=C=NCCCN(C)C.Cl
InChIKey
FPQQSJJWHUJYPU-UHFFFAOYSA-N
분자식
C8H18ClN3
평균 분자량
191.7 g/mol
단동위원소 질량
191.1189253

이름 및 식별자

우선 이름
1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
IUPAC
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
현지명
N'-(에틸카본이미도일)-N,N-디메틸1,3-프로판디아민 모노염산염
영어명
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
분자식
C8H18ClN3
분자량
191.7

이름 및 동의어

25952-53-8EDC hydrochloride1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride19W5TL0WJ41,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide hydrochlorideNSC-97064N'-(Ethylcarbonimidoyl)-N,N-dimethylpropane-1,3-diamine monohydrochlorideEDC HYDROCHLORIDE [MI]1-ethyl-3-(3'-dimethylaminopropyl)carbodiimide monohydrochlorideDTXSID508800761,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-, hydrochloride (1:1)
이름 더 보기
N'-(에틸카본이미도일)-N,N-디메틸1,3-프로판디아민모노염산염N3-(에틸카본이미도일)-N1,N1-다이메틸-1,3-프로판다이아민,염산염(1:1)N3-(에틸카본이미도일)-N1,N1-디메틸-1,3-프로판디아민의 염산염 (1:1)EDCIEDC.HClEDACWSCEDARAVONE1-ETHYL-3-(3-DIMETHYLAMINOPROPYL) CARBODIIMIDEWSCIWSCDEDC.HCI1-(3-dimethylaminopropyl)-3-ethylcarbodiimide HCI (EDCI·HCl)
3-[3-(Dimethylamino)propyl]-1-ethylcarbodiimide hydrochloride3-(3-(DIMETHYLAMINO)PROPYL)-1-ETHYLCARBODIIMIDE HYDROCHLORIDE1-ethyl-3-(3-dimethylaminopropyl]carbodiimide hydrochloride1-ethyl-3-[3-dimethylaminopropyl]carbodiimide hydrochlorideRefChem:415422DTXCID7010216721(3Dimethylaminopropyl)3ethylcarbodiimide hydrochloride1Ethyl3(3dimethylaminopropyl)carbodiimide hydrochloride

데이터베이스 식별자

CAS
25952-53-8、7084-11-9
PubChem CID
2723939
DTXSID
DTXSID50880076
ChEMBL
CHEMBL1968770
UNII
19W5TL0WJ4
EC Number
247-361-2

물성

구조 계산 물성

극성 표면적
28 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
12

실험 및 물리화학적 성질

Physical DescriptionWhite powder; [Aldrich MSDS]

물리화학적 성질

녹는점
110 · 110-115 °C(lit.)
밀도
0.877 g/mL · 0.877 g/mL at 20 °C(lit.)
증기압
0.002 Pa · 0.002Pa at 20℃
굴절률
20 · n20/D 1.461
저장 조건
-20 °C · -20°C
용해도
2 O: · H2O: 용해성 1gm/10ml, 투명하거나 매우 약간 흐릿함, 무색 내지 매우 희미한 노란색
화학적 성질 · 1건

EDC-HCl, or 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride, is a white crystalline powder that easily deliquescent and can dissolve in both water and ethanol. It is commonly used as an activating reagent in amide synthesis to activate carboxyl groups. It can also activate phosphate groups, cross-link proteins and nucleic acids, and produce immunocouplers. EDC-HCl is commonly applied in the pH range of 4.0-6.0 and is often used in conjunction with N-Hydroxysuccinimide (NHS) or N-Hydroxysulfosuccinimide sodium salt to improve coupling efficiency.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (73.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (56.5%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (60.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (10.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (75.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (43.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (55.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (56.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (56.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+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 315 reports by companies from 35 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 3건

Chemical: 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23229;Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17871

N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydro chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; May cause allergic reactions in certain individuals; [Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (73.7%);Acute Tox. 3 (56.5%);Skin Irrit. 2 (100%);Skin Sens. 1 (60.6%);Eye Dam. 1 (10.2%);Eye Irrit. 2 (75.2%);STOT SE 3 (43.2%);STOT RE 2 (55.9%);Aquatic Acute 1 (56.2%);Aquatic Chronic 1 (56.5%)

규제 정보

Regulatory Information · 3건

Chemical: 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

Status: Active Update: 08-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23229;Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17871

N-(3-Dimethylaminopropyl)-N'-ethylcarbodiimide hydro chloride: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
FF2200000
ridadr
UN 2735 8/PG 3
독성
LD50 intravenous in mouse: 56mg/kg
HS 번호
29252000

화학 및 산업

용도 및 제조

General Manufacturing Information1,3-Propanediamine, N3-(ethylcarbonimidoyl)-N1,N1-dimethyl-, hydrochloride (1:1): ACTIVE
응용 분야 · 1건

일반 설명EDC hydrochloride is a water-soluble derivative of carbodiimide useful for conjugating haptens to proteins and polypeptides. Used to modify NMDA receptors and as a condensing agent in peptide synthesis. The major advantage of EDAC coupling is the easy removal of excess reagent and the corresponding urea by washing with dilute acid or water. Carbodiimides catalyze the formation of amide bonds, carboxylic acids, and amines by activating the carboxylate to form an O-acylurea. This intermediate can be attacked by an amine directly to form an amide. EDAC is released as a soluble urea derivative.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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