기본 정보
- CAS
2188-18-3- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O- InChIKey
OZSSOVRIEPAIMP-ZETCQYMHSA-N- 분자식
- C11H21N5O6
- 평균 분자량
- 319.31 g/mol
- 단동위원소 질량
- 319.14918341
이름 및 식별자
- 우선 이름
- L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-
- IUPAC
- (2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
- 영어명
- N-Boc-N'-nitro-L-arginine
- 분자식
- C11H21N5O6
- 분자량
- 319.31
이름 및 동의어
Boc-L-NitroarginineQKQ9PP5RVEEINECS 218-580-0DTXSID50883805L-Ornithine, N2-((1,1-dimethylethoxy)carbonyl)-N5-(imino(nitroamino)methyl)-L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-N2-((1,1-Dimethylethoxy)carbonyl)-N5-(imino(nitroamino)methyl)-L-ornithineN2-TERT-BUTOXYCARBONYL-NG-NITROARGININEN.ALPHA.-TERT-BUTOXYCARBONYL-NG-NITRO-L-ARGININEORNITHINE, N2-CARBOXY-N5-(NITROAMIDINO)-, N2-TERT-BUTYL ESTER, L-(2S)-2-(TERT-BUTOXYCARBONYLAMINO)-5-((N-NITROCARBAMIMIDOYL)AMINO)PENTANOIC ACID(2S)-5-((AMINO(IMINO)METHYL)AMINO)-2-(1-(TERT-BUTOXYCARBONYL)-2-OXIDO-2-OXOHYDRAZINO)PENTANOIC ACID
이름 더 보기
BOC-ARG(NO2)Boc-Arg(NO)-OHboc-arg(n02)-ohBOC-L-ARG(NO2)-OHBOC-NITRO-ARGININENα-Boc-Nω-nitro-L-arBOC-ARGININE(NO2)-OHAgatraban impurity 2
N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithineRefChem:201408DTXCID001023291NALPHA-TERT-BUTOXYCARBONYL-NG-NITRO-L-ARGININE218-580-0Boc-Arg(NO2)-OH2188-18-3n-boc-n'-nitro-l-arginine
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 439
물리화학적 성질
- 녹는점
- 111 · 111-113 °C
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO(난용성), 메탄올(약간 용해됨,가열)
- 산도 계수 (pKa)
- 3.84 · 3.84±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- BRN
- 2015163 · 2015163
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1
- InChIKey
- OZSSOVRIEPAIMP-ZETCQYMHSA-N
- SMILES
- C(O)(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(OC(C)(C)C)=O
- EPA
- 2 · L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]- (2188-18-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H336 (33.3%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；STOT SE 3 (66.7%)；STOT SE 3 (33.3%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 2921490090
- risk_code
- 36/37/38-67-19
- hazard_code
- Xi
- safety_code
- 26-36-37/39-24/25
- 위험 등급
- IRRITANT
- F 고인화성물질
- 10
- Hazard Classifications
- STOT SE 3
화학 및 산업
용도 및 제조
General Manufacturing InformationL-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-: INACTIVE
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
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