Basic information
- CAS
42514-50-1- Standard SMILES
CC(C)(N)CCO- InChIKey
PHRHXTTZZWUGNN-UHFFFAOYSA-N- Molecular formula
- C5H13NO
- Average molar mass
- 103.16 g/mol
- Monoisotopic mass
- 103.09971404
Names & identifiers
- Preferred name
- 3-Amino-3-methylbutan-1-ol
- IUPAC
- 3-amino-3-methylbutan-1-ol
- English name
- 3-Amino-3-methyl-butan-1-ol
- Molecular formula
- C5H13NO
- Molecular weight
- 103.16
Names & synonyms
3-amino-3-methylbutan-1-ol42514-50-13-Amino-3-methyl-1-butanol3-amino-3-methylbutanol1-butanol, 3-amino-3-methyl-38T2YU9LPHEINECS 255-865-9DTXSID60195300RefChem:497162DTXCID30117791255-865-9InChI=1/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H
Show more names
3-Amino-3-methyl-butan-I-ol1-hydroxy-3-methylbut-3-ylamine
3-Amino-3-methyl-butan-1-olMFCD09032902UNII-38T2YU9LPH3-methyl-3-amino-1-butanol3-amino-3-methylbutan-1olSCHEMBL108849SCHEMBL610383SCHEMBL4035473
Database identifiers
- CAS
42514-50-1- PubChem CID
- 641000
- DTXSID
DTXSID60195300- UNII
- 38T2YU9LPH
- EC Number
- 255-865-9
- Nikkaji
- J309.937G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52
Physicochemical properties
- Boiling point
- 71 °C · 71 °C(Press: 9 Torr)
- Density
- 0.838 g/cm3 · 0.8380 g/cm3
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 15.42 · 15.42±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 38 T2YU9LPH · 38T2YU9LPH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 411 · P411+P235-P280-P305+P351+P338
- RIDADR
- 2735 · 2735
- HazardClass
- 8 · 8
- PackingGroup
- Ⅲ
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 (99%): 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 105 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (99%)
Safety data
- ridadr
- 2735
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- packing_group
- Ⅲ
- Hazard statements
- H317-H319
- Precautionary statements
- P411+P235-P280-P305+P351+P338
Chemistry & industry
Applications
Uses3-Amino-3-methylbut-1-ol can be used as a pharmaceutical synthesis intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers62 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [email protected]
Related reactions
14 records
Compound notes
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