기본 정보
- CAS
71989-16-7- 표준 SMILES
NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
YUGBZNJSGOBFOV-INIZCTEOSA-N- 분자식
- C19H18N2O5
- 평균 분자량
- 354.4 g/mol
- 단동위원소 질량
- 354.12157168
이름 및 식별자
- 우선 이름
- FMOC-L-asparagine
- IUPAC
- (2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
- 영어명
- Nalpha-FMOC-L-Asparagine
- 분자식
- C19H18N2O5
- 분자량
- 354.36
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
71989-16-7- PubChem CID
- 2724774
- DTXSID
DTXSID80222268- ChEMBL
CHEMBL3910195- EC Number
- 276-252-2
- Nikkaji
- J256.556K
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 530
물리화학적 성질
- 녹는점
- 190 °C · 190 °C (dec.)(lit.)
- 끓는 점
- 487.59 °C · 487.59°C (rough estimate)
- 밀도
- 1.3354 · 1.3354 (rough estimate)
- 굴절률
- -13 ° · -13 ° (C=1, DMF)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 1 % · Soluble in water or 1% acetic acid
- 산도 계수 (pKa)
- 3.68 · 3.68±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- BRN
- 4335103 · 4335103
- 주요 응용
- 펩타이드 합성
- InChI
- 1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)
- InChIKey
- YUGBZNJSGOBFOV-UHFFFAOYSA-N
- SMILES
- N(C(CC(=O)N)C(=O)O)C(=O)OCC1c2c(cccc2)c3c1cccc3
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.;There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).;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
안전 데이터
- wgk
- 3
- HS 번호
- 2924 29 70
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36/37/39-27-26
- 위험 등급
- IRRITANT
- F 고인화성물질
- 21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Nα-Fmoc-L-asparagine is an N-Fmoc-protected form of L-Asparagine (A790005). L-Asparagine was first isolated by Robiquet and Vauquelin from asparagus juice (a high source of L-asparagine). L-Asparagine is often incorporated into proteins, and is a basis for some cancer therapies as certain cancerous cells require L-asparagine for growth.
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