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(1R,2S)-2-aminocyclobutan-1-ol structure
(1R,2S)-2-aminocyclobutan-1-ol structure

(1R,2S)-2-aminocyclobutan-1-ol

Iupac Name:(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid
CAS No.: 74-79-3
Molecular Weight:174.20096
Modify Date.: 2022-03-13 19:36
1. Names and Identifiers
1.1 Name
(1R,2S)-2-aminocyclobutan-1-ol
1.2 Synonyms

(1R,2S)-2-Aminocycl (1R,2S)-2-Aminocyclobutanol cis-2-aminocyclobutanol MFCD19216727 MFCD26131683 rac-(1R,2S)-2-aminocyclobutanol

1.3 CAS No.
74-79-3
1.4 CID
6322
1.5 Molecular Formula
C8H7BrF2O (isomer)
1.6 Inchi
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
1.7 InChkey
ODKSFYDXXFIFQN-BYPYZUCNSA-N
1.8 Canonical Smiles
C(CC(C(=O)O)N)CN=C(N)N
1.9 Isomers Smiles
C(C[C@@H](C(=O)O)N)CN=C(N)N
2. Properties
3.1 Density
1.1±0.1 g/cm3 (Predicted)
3.1 Melting point
223-224℃
3.1 Refractive index
27 ° (C=8, 6mol/L HCl)
3.1 Precise Quality
174.11200
3.1 PSA
125.22000
3.1 logP
0.55280
3. Safety and Handling
4.1 Risk Statements
R36
4.1 Safety Statements
S24/25
4.1 Hazard Class
IRRITANT
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
CF1934200
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 174.20096g/mol
  • Molecular Formula: C8H7BrF2O
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 174.11167570
  • Monoisotopic Mass: 174.11167570
  • Complexity: 176
  • Rotatable Bond Count: 5
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 128
  • Heavy Atom Count: 12
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBjsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQBCAJAAgAoAACQLAAAAAEAAAAAAIGAAAACABIAgAAAQAAEEAAAAACYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
  • Uses of L-Arginine Mar 03 2021
    L-arginine is an amino acid that helps the body build protein. Your body usually makes all the L-arginine it needs. L-arginine is also found in most protein-rich foods, including fish, red meat, poultry, soy, whole grains, beans and dairy products. As a supplement, L-arginine can be used orally and...
8. Realated Product Infomation