1-Methyl-4-nitropyrrole-2-carboxylic acid - CAS 13138-78-8
Catalog: |
BB007311 |
Product Name: |
1-Methyl-4-nitropyrrole-2-carboxylic acid |
CAS: |
13138-78-8 |
Synonyms: |
1-methyl-4-nitropyrrole-2-carboxylic acid |
IUPAC Name: | 1-methyl-4-nitropyrrole-2-carboxylic acid |
Description: | 1-Methyl-4-nitropyrrole-2-carboxylic acid (CAS# 13138-78-8) is used in the synthesis of Lexitropsin and distamycin analogs with antimicrobial activities. |
Molecular Weight: | 170.12 |
Molecular Formula: | C6H6N2O4 |
Canonical SMILES: | CN1C=C(C=C1C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6N2O4/c1-7-3-4(8(11)12)2-5(7)6(9)10/h2-3H,1H3,(H,9,10) |
InChI Key: | GEGNYFQOFWUIFG-UHFFFAOYSA-N |
Boiling Point: | 367.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.54 g/cm3 |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD02180913 |
LogP: | 1.15470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-3071155-A1 | Novel cystobactamide derivatives | 20170823 |
CN-110997627-A | Novel cystobacter amide derivatives | 20170823 |
EP-3672937-A1 | Novel cystobactamide derivatives | 20170823 |
US-2020190020-A1 | Novel cystobactamide derivatives | 20170823 |
WO-2019038405-A1 | NEW CYSTOBACTAMIDE DERIVATIVES | 20170823 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03275668 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 88 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrroles
Customers Also Viewed
-
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
-
[1808-26-0]
Ethyl arachidonate
-
[57166-92-4]
Methylenediamine dihydrochloride
-
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[3886-90-6]
N,N-dimethyloctadecanamide
INDUSTRY LEADERS TRUST OUR PRODUCTS