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N-싱글-메틸-L-아로마 아세틸산에스테르 분자 구조
N-싱글-메틸-L-아로마 아세틸산에스테르 분자 구조

N-싱글-메틸-L-아로마 아세틸산에스테르

IUPAC이름:(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
CAS 레지스트리 번호: 17035-90-4
분자량:188.23
1. 이름 및 식별자
1.1 제품명
N-싱글-메틸-L-아로마 아세틸산에스테르
1.2 동의어

(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid (S)-2-Amino-5-(3-methylguanidino)pentanoic acid H-Arg(Me)-OH Acetate salt L-NMMA L-NMMA, Tilarginine, Targinine L-Ornithine, N-[imino(methylamino)methyl]-, acetate (1:1) MONOMETHYL-L-ARGININE N-(N-Methylcarbamimidoyl)-L-ornithine acetate (1:1) N(omega)-methyl-L-arginine NG-Methylarginine acetate NG-monomethyl-L-argine NG-Monomethyl-L-arginine NW-METHYL-L-ARGININE ACETATE Nω-Monomethyl-L-arginine Acetate omega-n-methylarginine targinina Targinine targininum tilarginina Tilarginine Tilarginine acetate tilargininum Tocris-0771

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1.3 CAS 레지스트리 번호
17035-90-4
1.4 CID
132862
1.5 분자식
C7H16N4O2 (isomer)
1.6 Inchi
InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
1.7 InchiKey
NTNWOCRCBQPEKQ-YFKPBYRVSA-N
1.8 교회법에 의거 한 SMILES
CNC(=N)NCCC[C@H](N)C(O)=O
1.9 이성질체 SMILES
CN=C(N)NCCC[C@@H](C(=O)O)N
2. 속성
2.1 밀도
1.32±0.1 g/cm3(Predicted)
2.2 비등점
341.0±52.0 °C(Predicted)
2.3 번쩍이는 점
191.3°C
2.4 PSA
148.53000
2.5 logP
0.59500
2.6 pKa
2.50±0.24(Predicted)
3. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. 화학 데이터 계산
  • 분자량: 188.23g/mol
  • 분자식: C7H16N4O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 188.12732577
  • Monoisotopic Mass: 188.12732577
  • Complexity: 193
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 114
  • Heavy Atom Count: 13
  • 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: AAADceBjsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQDCALAAgAoAACQLAAAAAEAAAABAIGIAACCABIAiAAEQAAEEAIAAACYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
5. 권장 공급업체
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NOMEGA-MONOMETHYL-L-ARGININE ACETATE
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6. 실제 제품 정보