Basic information
- CAS
4549-44-4- Standard SMILES
CCCCN(CC)N=O- InChIKey
ZGMCNGHHUQZNIH-UHFFFAOYSA-N- Molecular formula
- C6H14N2O
- Average molar mass
- 130.19 g/mol
- Monoisotopic mass
- 130.11061307
Names & identifiers
- Preferred name
- Ethylbutylnitrosamine
- IUPAC
- N-butyl-N-ethylnitrous amide
- English name
- ETHYLBUTYLNITROSAMINE
- Molecular formula
- C6H14N2O
- Molecular weight
- 130.19
Names & synonyms
4549-44-4EthylbutylnitrosamineEthyl-N-butylnitrosamineN-Ethyl-N-butylnitrosamineN-Nitroso-N-butylethylamineButanamine, N-ethyl-N-nitroso-Butylamine, N-ethyl-N-nitroso-8K383MZ3XRDTXSID50196528RefChem:830851DTXCID90119019N-Ethyl-N-nitrosobutylamine
Show more names
NitrosobutylethylaMineN-NITROSOETHYLBUTYLAMINEaethyl-n-butyl-nitrosoaminN-ETHYL-N-BUTYL NITROSAMINEn-ethyl-n-nitroso-butanamin
N-Nitroso-N-ethylbutylamineNitrosoethylbutylamine1-Butanamine, N-ethyl-N-nitroso-N-Nitrosoethyl-N-butylamineN-butyl-N-ethylnitrous amideN-Butyl-N-ethylnitrosaminebutyl(ethyl)nitrosoamineButylethylnitrosamin
Database identifiers
- CAS
4549-44-4- PubChem CID
- 20680
- DTXSID
DTXSID50196528- ChEMBL
CHEMBL166063- UNII
- 8K383MZ3XR
- EC Number
- 627-593-4
- Nikkaji
- J35.115F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 75.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP1.67
Flash Point93 °C
Vapor Density0.91
Vapor Pressure0.087 mmHg
Physical DescriptionPale yellow oil.
Physicochemical properties
- Boiling point
- 240.9 °C · 240.9°C (rough estimate)
- Density
- 0.91 g/mL · 0.91 g/mL(lit.)
- refractive index
- 1.465 · 1.4650 (estimate)
- Flash point
- 93 °C · 93 °C
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Pale Yellow
- Water Solubility
- 11.98 g/L · 11.98g/L(24 ºC)
- Henry's Law Constant
- 9.9 · 9.9×10-1 mol/(m3Pa) at 25℃, Mirvish et al. (1976)
- Stability
- Light Sensitive
- FDA UNII
- 8 K383MZ3XR · 8K383MZ3XR
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- RTECS
- 5075000 · EO5075000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- rtecs
- EO5075000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesA nitrosoamine compound that shows carcinogenic effect.
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
广州维奥康药业科技有限公司+86-13424074264; 13726739909 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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