3-(METHYLTHIO)PROPYLAMINE (CAS 4104-45-4) — formula C4H11NS, molecular weight 105.20; category organic chemicals.
| CAS Number | 4104-45-4 |
|---|---|
| Molecular Formula | C4H11NS |
| Molecular Weight | 105.20 |
| Boiling Point | 96-98 °C (60 mm Hg) |
| LogP | 0.3 |
| Category | Organic Chemicals |
3-(METHYLTHIO)PROPYLAMINE is a carbon-based organic compound with CAS registry number 4104-45-4 and molecular formula C4H11NS (molecular weight 105.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4104-45-4
Its molecular formula C4H11NS comprises 4 C, 11 H, 1 N, 1 S atoms.
Also known as: 3-(METHYLTHIO)PROPYLAMINE · 3-甲硫基丙胺
Category: organic chemicals
The CAS registry number of 3-(METHYLTHIO)PROPYLAMINE is 4104-45-4.
Molecular formula C4H11NS, molecular weight 105.20.
It is also registered under: 3-(METHYLTHIO)PROPYLAMINE, 3-甲硫基丙胺.
Category: Organic Chemicals.
Independent reference data for 3-(METHYLTHIO)PROPYLAMINE (CAS 4104-45-4), compiled from public chemistry databases.
| CAS 号 | 4104-45-4 |
|---|---|
| PubChem CID | 77743 |
| 分子式 | C4H11NS |
| IUPAC 名称 | 3-methylsulfanylpropan-1-amine |
| UNII（FDA） | 1IAP0CGD5S |
| FEMA 编号 | 4649 |
| JECFA 编号 | 2004 |
| Molecular Weight | 105.20 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 105.06122053 |
| Monoisotopic Mass | 105.06122053 |
| Topological Polar Surface Area | 51.3 |
| Heavy Atom Count | 6 |
| Boiling Point | 96-98 °C (60 mm Hg) |
|---|---|
| Density | 0.958-0.964 (20 °C) |
| Refractive Index | 1.489-1.495 |
3-(Methylthio)propylamine; 4104-45-4; 3-Methylthiopropylamine; 1-Propanamine, 3-(methylthio)-; 3-(methylsulfanyl)propan-1-amine; 3-methylsulfanylpropan-1-amine; 3-(methylthio)-1-propanamine; 1IAP0CGD5S; 3-Aminopropyl methyl sulfide; 3-(Methylmercapto)propylamine; DTXSID1063300; 1-AMINO-3-(METHYLTHIO)PROPANE; S-METHYLHOMOCYSTEAMINE; 3-(methylsulfanyl)propylamine; FEMA NO. 4649; CHEBI:16696
| 法规与食品接触 | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/49 FAS 64-JECFA 73/119 |
|---|---|
| GHS 通报统计 | 0.7% (1 / 138) |
| GHS 通报统计 | 0.7% (1 / 138) |
|---|---|
| 已通报的危害声明 | H314 (70.3%), H315 (29%), H318 (63.8%), H335 (29%) |
3-甲硫基丙胺 · CAS 4104-45-4 · C4H11NS. UNII 1IAP0CGD5S. Boiling Point: 96-98 °C (60 mm Hg); Density: 0.958-0.964 (20 °C); Refractive Index: 1.489-1.495.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲硫基丙胺