Basic information
- Standard SMILES
CC(C)(CN)CO- InChIKey
FNVOFDGAASRDQY-UHFFFAOYSA-N- Molecular formula
- C5H13NO
- Average molar mass
- 103.16 g/mol
- Monoisotopic mass
- 103.09971404
Names & identifiers
- Preferred name
- 1-Propanol, 3-amino-2,2-dimethyl-
- IUPAC
- 3-amino-2,2-dimethylpropan-1-ol
- English name
- 3-Amino-2,2-dimethyl-1-propanol
- Molecular formula
- C5H13NO
- Molecular weight
- 103.16
Names & synonyms
3-Amino-2,2-dimethyl-1-propanol26734-09-83-Amino-2,2-dimethylpropan-1-ol1-Propanol, 3-amino-2,2-dimethyl-EINECS 247-948-3DTXSID7067247RefChem:436267DTXCID6037564247-948-3Neopentanolamine3-amino-2,2-dimethylpropanol3-amino-2,2-dimethyl-propan-1-ol
Show more names
3-amino-2,2-dimethyl-1-propano2,2-Dimethyl-3-amino-1-propanoltriphenyl-(phenylmethyl)plumbane3-Hydroxy-2,2-dimethylpropylamine
MFCD00059847SCHEMBL242572,2-dimethyl-3-aminopropanol3-amino-2,2-dimethyl propanol1-amino-2,2-dimethyl-3-propanolSTK506280AKOS005172406SY023964
Database identifiers
- CAS
26734-09-8- PubChem CID
- 117326
- DTXSID
DTXSID7067247- EC Number
- 247-948-3
- Nikkaji
- J149.723E
Properties
Computed structural properties
- XLogP
- -0.2
- 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
- Melting point
- 70 °C · 70°C
- Boiling point
- 80 °C@20mmHg · 80°C@20mmHg
- Density
- 0.918 · 0.918
- Flash point
- 62 ℃ · 62℃
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Soluble in Dichloromethane, Chloroforn, Ether and Methanol
- pka
- 15.1 · 15.10±0.10(Predicted)
- form
- Solid
- color
- Colourless
- Water Solubility
- very faint turbidity
- Sensitive
- Hygroscopic
- BRN
- 1731900 · 1731900
- CAS DataBase Reference
- 26734 · 26734-09-8(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1-Propanol, 3-amino-2,2-dimethyl- (26734-09-8)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H315-H319-H335
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P261-P280a-P304+P340-P305+P351+P338-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38-41-37/38
- Safety Statements
- 26 · 26-36-39
- RIDADR
- 3263 · 3263
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 29055900 · 29055900
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (28.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (28.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3263
- hs_code
- 29055900
- risk_code
- 36/38-41-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36-39
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard statements
- H314-H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P261-P280a-P304+P340-P305+P351+P338-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanol, 3-amino-2,2-dimethyl-: ACTIVE
Applications
UsesReatant in the synthesis of cyclic carbamates, cryptophycin analogues. Neopentanolamine with ammonia and hydrogen yeilds neopentyldiamine.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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Related reactions
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