CAS 2626-52-0 3-(Diethylamino)propyl isothiocyanate (HCID 2758240)

基本情報

CAS: 2626-52-0
標準SMILES: CCN(CC)CCCN=C=S
InChIKey: QPBVKSLJBRCKIF-UHFFFAOYSA-N
分子式: C8H16N2S
平均分子量: 172.29 g/mol
単同位体質量: 172.10341951

名称と識別子

優先名称: 3-(Diethylamino)propyl isothiocyanate
IUPAC: N,N-diethyl-3-isothiocyanatopropan-1-amine
現地名: 3-(ジエチルアミノ)プロピルイソチオシアナート
英語名: 3-(Diethylamino)propyl isothiocyanate
分子式: C8H16N2S
分子量: 172.29

名称と別名

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

名称をさらに表示

3-(ジエチルアミノ)プロピルイソチオシアナートイソチオシアン酸3-(ジエチルアミノ)プロピルジエチル(3-イソチオシアナトプロピル)アミン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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.7
極性表面積: 47.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 11
形式電荷: 0
複雑度: 126

物理化学的性質

沸点: 95 °C · 95 °C
比重(密度): 0.954 g/mL · 0.954 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5000(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.14 · 10.14±0.25(Predicted)
比重: 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
CAS データベース: 2626 · 2626-52-0(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

安全データ

wgk: 3
ridadr: 2927
hs_code: 29309090
risk_code: 22-37/38-41
hazard_code: Xn
safety_code: 26-39
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野

使用3-(Diethylamino)propyl isothiocyanate (DEAP) may be used to synthesize GCS-g-DEAP [glycol chitosan (GCS) grafted with DEAP groups].

サプライヤー53 社

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]

化合物ノート

読み込み中…