o-Xylylenediamine dihydrochloride - CAS 21294-14-4
Catalog: |
BB016755 |
Product Name: |
o-Xylylenediamine dihydrochloride |
CAS: |
21294-14-4 |
Synonyms: |
[2-(aminomethyl)phenyl]methanamine;dihydrochloride |
IUPAC Name: | [2-(aminomethyl)phenyl]methanamine;dihydrochloride |
Description: | o-Xylylenediamine dihydrochloride (CAS# 21294-14-4) is a useful research chemical. |
Molecular Weight: | 209.12 |
Molecular Formula: | C8H12N2 · 2HCl |
Canonical SMILES: | C1=CC=C(C(=C1)CN)CN.Cl.Cl |
InChI: | InChI=1S/C8H12N2.2ClH/c9-5-7-3-1-2-4-8(7)6-10;;/h1-4H,5-6,9-10H2;2*1H |
InChI Key: | VDEOIFDDSWXYDA-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD00182462 |
LogP: | 3.60860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111411095-A | Novel recombinant (R) -omega-transaminase, mutant and application thereof | 20200410 |
CN-111518783-A | Novel recombinant (R) -omega-transaminase, mutant and application thereof in preparation of sitagliptin | 20200410 |
CN-111411095-B | Recombinant (R) -omega-transaminase, mutant and application thereof | 20200410 |
CN-111518783-B | Recombinant (R) -omega-transaminase, mutant and application thereof in preparation of sitagliptin | 20200410 |
CN-111411094-A | (R) -omega-transaminase mutant and application thereof | 20200409 |
Complexity: | 81.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0534038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0534038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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