N-Benzyl-N,N-bis(2-chloroethyl)amine Hydrochloride - CAS 10429-82-0
Catalog: |
BB001377 |
Product Name: |
N-Benzyl-N,N-bis(2-chloroethyl)amine Hydrochloride |
CAS: |
10429-82-0 |
Synonyms: |
2-chloro-N-(2-chloroethyl)-N-(phenylmethyl)ethanamine;hydrochloride; N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride |
IUPAC Name: | N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride |
Description: | N-Benzyl-bis(2-chloroethyl)amine Hydrochloride can be used to prepare RSV F protein inhibitors. |
Molecular Weight: | 268.61 |
Molecular Formula: | C11H16Cl3N |
Canonical SMILES: | C1=CC=C(C=C1)CN(CCCl)CCCl.Cl |
InChI: | InChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H |
InChI Key: | AZRWNJFEUSHORT-UHFFFAOYSA-N |
Boiling Point: | 242.6 °C at 760 mmHg |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD00185654 |
LogP: | 3.76820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127337-A1 | Trpml modulators | 20191219 |
WO-2020254408-A1 | Pyridin-3-yl derivatives | 20190618 |
US-2020317665-A1 | Protein tyrosine phosphatase inhibitors | 20190402 |
WO-2020201991-A1 | Protein tyrosine phosphatase inhibitors | 20190402 |
WO-2020165741-A1 | Novel triterpene derivatives as hiv inhibitors | 20190211 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.034833 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.034833 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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