N1-Boc-3-chloro-1,2-benzenediamine - CAS 954238-81-4
Catalog: |
BB041714 |
Product Name: |
N1-Boc-3-chloro-1,2-benzenediamine |
CAS: |
954238-81-4 |
Synonyms: |
N-(2-amino-3-chlorophenyl)carbamic acid tert-butyl ester; tert-butyl N-(2-amino-3-chlorophenyl)carbamate |
IUPAC Name: | tert-butyl N-(2-amino-3-chlorophenyl)carbamate |
Description: | N1-Boc-3-chloro-1,2-benzenediamine (CAS# 954238-81-4) is a useful research chemical. |
Molecular Weight: | 242.70 |
Molecular Formula: | C11H15ClN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C(=CC=C1)Cl)N |
InChI: | InChI=1S/C11H15ClN2O2/c1-11(2,3)16-10(15)14-8-6-4-5-7(12)9(8)13/h4-6H,13H2,1-3H3,(H,14,15) |
InChI Key: | FLSCKYWYOFQHEO-UHFFFAOYSA-N |
MDL: | MFCD09701242 |
LogP: | 3.92340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
MX-PA04007516-A | DERIVATIVES OF DIHIDROBENZODIAZEPIN-2-ONA FOR TREATMENT OF NEUROLOGICAL DISEASES. | 20020206 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0822054 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0822054 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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