3-(Diethylamino)propyl isothiocyanate

HCID 2758240

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기본 정보

CAS: 2626-52-0
표준 SMILES: CCN(CC)CCCN=C=S
InChIKey: QPBVKSLJBRCKIF-UHFFFAOYSA-N
분자식: C8H16N2S
평균 분자량: 172.29 g/mol
단동위원소 질량: 172.10341951

이름 및 식별자

우선 이름: 3-(Diethylamino)propyl isothiocyanate
IUPAC: N,N-diethyl-3-isothiocyanatopropan-1-amine
영어명: 3-(Diethylamino)propyl isothiocyanate
분자식: C8H16N2S
분자량: 172.29

이름 및 동의어

3-(Diethylamino)propyl isothiocyanate2626-52-03-(Diethylamino)propylisothiocyanateDTXSID60374234RefChem:275392DTXCID00325265624-868-0QPBVKSLJBRCKIF-UHFFFAOYSA-NN,N-diethyl-3-isothiocyanatopropan-1-aminediethyl(3-isothiocyanatopropyl)amine1-Propanamine, N,N-diethyl-3-isothiocyanato-diethyl-(3-isothiocyanato-propyl)-amine

이름 더 보기

2-(5-chloro-6-methoxyphenyl)aceticacid3-(Diethylamino)propyl isothiocyate, 99%Dimethyl-(3-isothiocyanato-propyl)-amine3-(DIETHYLAMINO)PROPYL ISOTHIOCYANATE 99%N,N-diethyl-3-isothiocyanato-1-propanamine3-Diethylamino-1-propyl isothiocyanate, 97%

MFCD00041133N,N-diethyl-N-(3-isothiocyanatopropyl)amineN,N-diethyl-3-isothiocyanato-propan-1-amineSCHEMBL9885863-diethylaminopropyl isothiocyanate3-(diethylamino)propanisothiocyanateALBB-006649AKOS000212557

데이터베이스 식별자

CAS: 2626-52-0
PubChem CID: 2758240
DTXSID: DTXSID60374234
EC Number: 624-868-0
Nikkaji: J265.486E

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 47.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 126

물리화학적 성질

끓는 점: 95 °C · 95 °C
밀도: 0.954 g/mL · 0.954 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5000(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.14 · 10.14±0.25(Predicted)
Specific Gravity: 0.95 · 0.95
BRN: 1757446 · 1757446
InChI: InChI=1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3
InChIKey: QPBVKSLJBRCKIF-UHFFFAOYSA-N
SMILES: C(N(CC)CC)CCN=C=S

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 44 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 (97.7%)

안전 데이터

wgk: 3
ridadr: 2927
HS 번호: 29309090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
포장분류: II
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3-(Diethylamino)propyl isothiocyanate (DEAP) may be used to synthesize GCS-g-DEAP [glycol chitosan (GCS) grafted with DEAP groups].

공급사53 곳

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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