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59983-39-0 molecular structure
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(2S)-2-(methoxymethyl)pyrrolidin-1-amine

ChemBase ID: 151210
Molecular Formular: C6H14N2O
Molecular Mass: 130.18816
Monoisotopic Mass: 130.11061308
SMILES and InChIs

SMILES:
COC[C@@H]1CCCN1N
Canonical SMILES:
COC[C@@H]1CCCN1N
InChI:
InChI=1S/C6H14N2O/c1-9-5-6-3-2-4-8(6)7/h6H,2-5,7H2,1H3/t6-/m0/s1
InChIKey:
BWSIKGOGLDNQBZ-LURJTMIESA-N

Cite this record

CBID:151210 http://www.chembase.cn/molecule-151210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(methoxymethyl)pyrrolidin-1-amine
IUPAC Traditional name
(2S)-2-(methoxymethyl)pyrrolidin-1-amine
Synonyms
SAMP
(S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine
(2S)-2-(Methoxymethyl)-1-pyrrolidinamine
(S)-1-Amino-2-(methoxymethyl)pyrrolidine
[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]amine
(S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine
(S)-(-)-1-氨基-2-(甲氧基甲基)吡咯烷
CAS Number
59983-39-0
MDL Number
MFCD00064485
Beilstein Number
1523794
PubChem SID
24846168
24856982
162245367
PubChem CID
7156993

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7156993 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1626784  LogD (pH = 7.4) -0.47170112 
Log P -0.44943118  Molar Refractivity 37.4322 cm3
Polarizability 14.598005 Å3 Polar Surface Area 38.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
42 °C/1.8 mmHg(lit.) expand Show data source
Flash Point
161.6 °F expand Show data source
72 °C expand Show data source
Density
0.97 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.465 expand Show data source
n20/D 1.465(lit.) expand Show data source
Optical Rotation
[α]20/D -79°, neat expand Show data source
[α]20/D -82±2°, neat expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95.0% (sum of enantiomers, GC) expand Show data source
95% expand Show data source
Grade
purum expand Show data source
Optical Purity
ee: 97% (GLC) expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H14N2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 281573 external link
Packaging
1 g in ampule
Application
Undergoes condensation reactions with carbonyl compounds to produce hydrazones which are useful synthons in highly enantioselective syntheses.1,2,3
Toronto Research Chemicals - A611925 external link
(S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine is a disubstituted pyrrolidine. (S)-(-)-1-Amino-2-(methoxymethyl)pyrrolidine undergoes condensation reactions with carbonyl compounds to produce hydrazones which are useful for highly enantioselective synthesis

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Enders, D. et al.: Tetrahed. Lett., 2, 191 (1977)
  • • Zakharova, V. et al.: Zeitsch. Naturforsch. B Chem. Sci., 61, 464 ·2006);
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PATENTS

PATENTS

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INTERNET

INTERNET

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