5-Aminomethyl-7-chloro-1,3-benzodioxole hydrochloride - CAS 350480-53-4
Catalog: |
BB022400 |
Product Name: |
5-Aminomethyl-7-chloro-1,3-benzodioxole hydrochloride |
CAS: |
350480-53-4 |
Synonyms: |
(7-chloro-1,3-benzodioxol-5-yl)methanamine;hydrochloride |
IUPAC Name: | 7-chloro-N-methyl-1,3-benzodioxol-5-amine;hydrochloride |
Description: | 5-Aminomethyl-7-chloro-1,3-benzodioxole hydrochloride (CAS# 350480-53-4 ) is a useful research chemical. |
Molecular Weight: | 222.07 |
Molecular Formula: | C8H8ClNO2 · HCl |
Canonical SMILES: | C1OC2=C(O1)C(=CC(=C2)CN)Cl.Cl |
InChI: | InChI=1S/C8H8ClNO2.ClH/c9-6-1-5(3-10)2-7-8(6)12-4-11-7;/h1-2H,3-4,10H2;1H |
InChI Key: | IKKYRYBQFYJZCS-UHFFFAOYSA-N |
Boiling Point: | 340 ℃ at 760 mmHg |
Appearance: | White to brown crystals |
MDL: | MFCD08276794 |
LogP: | 2.98540 |
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 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0010339 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0010339 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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