N-Boc-3-aminophenylacetic Acid - CAS 123036-51-1
Catalog: |
BB005621 |
Product Name: |
N-Boc-3-aminophenylacetic Acid |
CAS: |
123036-51-1 |
Synonyms: |
2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]acetic acid; 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid |
IUPAC Name: | 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid |
Description: | N-Boc-3-aminophenylacetic Acid (CAS# 123036-51-1) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 251.28 |
Molecular Formula: | C13H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC(=C1)CC(=O)O |
InChI: | InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10-6-4-5-9(7-10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16) |
InChI Key: | RGLDALVJLSFYMV-UHFFFAOYSA-N |
Boiling Point: | 355.6 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02682313 |
LogP: | 2.73370 |
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 |
CN-112574255-A | Organic arsine-based CDK inhibitor and preparation method and application thereof | 20190927 |
WO-2021057867-A1 | Class of cdk inhibitor based on organic arsine, preparation method and application thereof | 20190927 |
BR-112020019818-A2 | OX2R COMPOUNDS | 20180327 |
CN-112165940-A | OX2R compound | 20180327 |
KR-20210010443-A | OX2R compound | 20180327 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.11575802 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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