3-(Methylamino)propanenitrile
3-(Methylamino)propanenitrile structure
|
Common Name | 3-(Methylamino)propanenitrile | ||
|---|---|---|---|---|
| CAS Number | 693-05-0 | Molecular Weight | 84.120 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 180.7±23.0 °C at 760 mmHg | |
| Molecular Formula | C4H8N2 | Melting Point | -21ºC | |
| MSDS | Chinese USA | Flash Point | 63.1±22.6 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 3-Methylaminopropionitrile, also known as 3-(Methylamino)propanenitrile, has a Chinese name of 3-甲胺基丙腈. Its CAS number is 693-05-0, with a molecular formula of C4H8N2 and a molecular weight of 84.120. It appears as a transparent yellow liquid with a melting point of -21℃ and a boiling point of 180.7±23.0℃, and a density of 0.9±0.1g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Methylaminopropionitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 180.7±23.0 °C at 760 mmHg |
| Melting Point | -21ºC |
| Molecular Formula | C4H8N2 |
| Molecular Weight | 84.120 |
| Flash Point | 63.1±22.6 °C |
| Exact Mass | 84.068748 |
| PSA | 35.82000 |
| LogP | -0.79 |
| Vapour Pressure | 0.9±0.3 mmHg at 25°C |
| Index of Refraction | 1.412 |
| InChIKey | UNIJBMUBHBAUET-UHFFFAOYSA-N |
| SMILES | CNCCC#N |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H312-H315-H319-H332-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | TZ4910000 |
| HS Code | 29269095 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~10%
3-(Methylamino)... CAS#:693-05-0 |
| Literature: Sun, Xudong; Du, Yijun; Li, Chunqing; Qi, Chenze Kinetics and Catalysis, 2010 , vol. 51, # 5 p. 653 - 656 |
|
~%
3-(Methylamino)... CAS#:693-05-0 |
| Literature: Journal of the Chemical Society, , p. 399,401 US2451852 , ; US1992615 , ; FR742358 ; DE598185 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 20, p. 346 Angewandte Chemie, , vol. 61, p. 234 Anm.131 |
|
~49%
3-(Methylamino)... CAS#:693-05-0 |
| Literature: Taniguchi, Tsuyoshi; Goto, Naoya; Ishibashi, Hiroyuki Tetrahedron Letters, 2009 , vol. 50, # 34 p. 4857 - 4858 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
![4-[2-cyanoethyl(methyl)amino]butanenitrile structure](https://image.chemsrc.com/caspic/146/1859-29-6.png)
CAS#:1859-29-6
CAS#:23873-66-7![N-Methyl-N-[4-(methylsulfonyl)-2-nitrophenyl]amine structure](https://image.chemsrc.com/caspic/234/30388-44-4.png)
CAS#:30388-44-4
CAS#:81689-46-5
CAS#:82-38-2
CAS#:6291-84-5
CAS#:76362-28-2
CAS#:2213-08-3
CAS#:15950-17-1
CAS#:81676-71-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00001954 |
| 3-(Methylamino)propanenitrile |
| EINECS 211-740-0 |
| β-(Methylamino)propionitrile |
| 3-Methyl aminopropionitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 3-Methylaminopropionitrile? |
| A: Polar surface area (PSA) of 3-Methylaminopropionitrile is 35.82000. |
| Q: What is the molecular formula of 3-Methylaminopropionitrile? |
| A: Molecular formula of 3-Methylaminopropionitrile is C4H8N2. |
| Q: What is the InChIKey of 3-Methylaminopropionitrile? |
| A: InChIKey of 3-Methylaminopropionitrile is UNIJBMUBHBAUET-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3-Methylaminopropionitrile? |
| A: Molecular weight of 3-Methylaminopropionitrile is 84.120. |
| Q: What is the LogP of 3-Methylaminopropionitrile? |
| A: LogP of 3-Methylaminopropionitrile is -0.79. |
| Q: What is the CAS number of 3-Methylaminopropionitrile? |
| A: CAS number of 3-Methylaminopropionitrile is 693-05-0. |
| Q: What English synonyms does 3-Methylaminopropionitrile have? |
| A: English synonyms of 3-Methylaminopropionitrile: MFCD00001954, 3-(Methylamino)propanenitrile, EINECS 211-740-0, β-(Methylamino)propionitrile, 3-Methyl aminopropionitrile. |
| Q: What is the safety information for 3-Methylaminopropionitrile? |
| A: Safety information for 3-Methylaminopropionitrile: S26-S36/37-S37/39. |
| Q: What is the boiling point of 3-Methylaminopropionitrile? |
| A: Boiling point of 3-Methylaminopropionitrile is 180.7±23.0 °C at 760 mmHg. |
| Q: What are the downstream products of 3-Methylaminopropionitrile? |
| A: Related downstream products(CAS) of 3-Methylaminopropionitrile: 1859-29-6;23873-66-7;30388-44-4;81689-46-5;82-38-2;6291-84-5;76362-28-2;2213-08-3;15950-17-1;81676-71-3. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |