马尿酸(CAS 495-69-2):分子式 C9H9NO3、分子量 179.17。
| CAS号 | 495-69-2 |
|---|---|
| 分子式 | C9H9NO3 |
| 分子量 | 179.17 |
| 熔点 | 187 - 191 °C |
| LogP | 0.31 |
| 应用领域 | Uses: Found in the urine of herbivorous animals and humans、[Merck Index]、Naturally produced by the body (endogenous).、Use Classification: Cosmetics -> Hair conditioning、General Manufacturing Information: Glycine、N-benzoyl-: ACTIVE |
登记用途:Uses: Found in the urine of herbivorous animals and humans、[Merck Index]、Naturally produced by the body (endogenous).、Use Classification: Cosmetics -> Hair conditioning、General Manufacturing Information: Glycine、N-benzoyl-: ACTIVE。
马尿酸 是一种化工化合物,登记 CAS 号为 495-69-2,分子式 C9H9NO3(分子量 179.17)。
登记 CAS 号:495-69-2
其分子式 C9H9NO3 由 9 个碳、9 个氢、1 个氮、3 个氧 组成。
别名/同义词:马尿酸 · Hippuric acid
马尿酸 的 CAS 登记号为 495-69-2。
分子式 C9H9NO3,分子量 179.17。
别名/同义词:马尿酸、Hippuric acid。
登记用途:Uses: Found in the urine of herbivorous animals and humans、[Merck Index]、Naturally produced by the body (endogenous).、Use Classification: Cosmetics -> Hair conditioning、General Manufacturing Information: Glycine、N-benzoyl-: ACTIVE。
马尿酸(CAS 495-69-2)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 495-69-2 |
|---|---|
| PubChem CID | 464 |
| Molecular formula | C9H9NO3 |
| IUPAC name | 2-benzamidoacetic acid |
| UNII (FDA) | TE0865N2ET |
| Molecular Weight | 179.17 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 179.058243149 |
| Monoisotopic Mass | 179.058243149 |
| Topological Polar Surface Area | 66.4 |
| Heavy Atom Count | 13 |
| Melting Point | 187 - 191 °C |
|---|---|
| Solubility | 3.75 mg/mL |
| Vapor Pressure | 0.00000076 [mmHg] |
| LogP | 0.31 |
| Collision Cross Section | 153.1 Ų [M+Na]+ |
| Collision Cross Section | 147.7 Ų [M-H]- |
| Collision Cross Section | 149.9 Ų [M+Na]+ |
| Collision Cross Section | 145.9 Ų [M+H]+ |
| Collision Cross Section | 142.4 Ų [M-H]- |
Hippuric acid; 495-69-2; 2-Benzamidoacetic acid; N-Benzoylglycine; Benzoylglycine; Glycine, N-benzoyl-; Benzamidoacetic acid; Benzoylaminoacetic acid; hippurate; Hippursaeure; 2-(Phenylformamido)Acetic Acid; Phenylcarbonylaminoacetic acid; Benzamidoessigsaeure; Benzoylaminoessigsaeure; Acido ippurico; DTXSID9046073
| Regulatory & Food Contact | CIR / INCI: Hair conditioning |
|---|---|
| GHS notification summary | 5.2% (3 / 58) |
| GHS notification summary | 5.2% (3 / 58) |
|---|---|
| Reported hazard statements | H302 (93.1%), H315 (94.8%), H318 (93.1%), H335 (93.1%) |
This chemical does not meet GHS hazard criteria for 5.2% (3 of 58) of reports.
H302 (93.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Hippuric acid · CAS 495-69-2 · C9H9NO3. UNII TE0865N2ET. Melting Point: 187 - 191 °C; Solubility: 3.75 mg/mL; Vapor Pressure: 0.00000076 [mmHg].
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: Hippuric acid