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2-Amino-4-methylpentan-1-ol

HCID 79030
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
16369-17-8
Standard SMILES
CC(C)CC(N)CO
InChIKey
VPSSPAXIFBTOHY-UHFFFAOYSA-N
Molecular formula
C6H15NO
Average molar mass
117.19 g/mol
Monoisotopic mass
117.1153641

Names & identifiers

Preferred name
2-Amino-4-methylpentan-1-ol
IUPAC
2-amino-4-methylpentan-1-ol
English name
D/L-LEUCINOL
Molecular formula
C6H15NO
Molecular weight
117.19

Names & synonyms

2-Amino-4-methylpentan-1-ol502-32-9RefChem:1062189207-933-4DL-Leucinol1-Pentanol, 2-amino-4-methyl-2-Amino-4-methyl-1-pentanol16369-17-8MFCD00066926L(+)-Leucinol2-Amino-4-methyl-pentan-1-olD/L-Leucinol
Show more names
H-Leucinol-2-Chlorotrityl Resin(S)-(+)-2-Amino-4-methyl-1-pentanol2-Amino-4-methyl-1-pentanol #L-Leu-ol-2-chlorotrityl resinNSC64339D-Leu-olEINECS 207-933-4(+/-)-Leucinol

Database identifiers

CAS
16369-17-8、502-32-9、53448-09-2
PubChem CID
79030
DTXSID
DTXSID40936859
EC Number
207-933-4
Nikkaji
J11.780C

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
8
Formal charge
0
Complexity
54.5

Physicochemical properties

Melting point
44 °C · 44°C
Boiling point
219.03 °C · 219.03°C (rough estimate)
Density
0.9173 · 0.9173
refractive index
1.4444 · 1.4444 (estimate)
Hazard Codes
Xi
Risk Statements
36 · 36/37/38-43-36
Safety Statements
26 · 26-36-36/37

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

risk_code
36/37/38-43-36
hazard_code
Xi
safety_code
26-36-36/37

Related reactions

51 records
New reaction record
HRID 96653 reaction equation
HRID 96653As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 105191 reaction equation
HRID 105191As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 113470 reaction equation
HRID 113470As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 119112 reaction equation
HRID 119112As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 120609 reaction equation
HRID 120609As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 147837 reaction equation
HRID 147837As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 161018 reaction equation
HRID 161018As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 169762 reaction equation
HRID 169762As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
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Compound notes

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