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D-Tryptophan

HCID 9060
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
153-94-6
표준 SMILES
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIKey
QIVBCDIJIAJPQS-SECBINFHSA-N
분자식
C11H12N2O2
평균 분자량
204.22 g/mol
단동위원소 질량
204.08987762

개요

D(+)-tryptophan is a white solid. (NTP, 1992)

이름 및 식별자

우선 이름
D-Tryptophan
IUPAC
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
영어명
D-Tryptophan
분자식
C11H12N2O2
분자량
204.23

이름 및 동의어

D-Tryptophan153-94-6D(+)-Tryptophan(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid(R)-Tryptophan(+)-TryptophanD-TrytophaneTryptophan, D-D-(+)-TryptophanDTXSID00469897NS97N9H1GEINECS 205-819-9
이름 더 보기
D-TRPH-D-TRP-OHLTRD-Trp-OHWVD-TriptophanD-2-AMINO-3-(3-INDOLYL)PROPIONIC ACIDTRP-01
NSC 97942CHEBI:16296NSC-97942DTXCID8026989DTryptophane(R)TryptophanTryptophan, DD(+)Tryptophan

데이터베이스 식별자

CAS
153-94-6
PubChem CID
9060
DTXSID
DTXSID0046989
ChEMBL
CHEMBL292303
ChEBI
CHEBI:16296
UNII
7NS97N9H1G
EC Number
205-819-9
Nikkaji
J9.185E

물성

구조 계산 물성

XLogP
-1.1
극성 표면적
79.1 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
15
형식 전하
0
복잡도
245

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Solubility1 to 5 mg/mL at 75 °F (NTP, 1992)
Melting Point · 3건

527 to 540 °F (NTP, 1992)

282-85 dec °C

282 - 85 °C

Physical Description · 3건

D(+)-tryptophan is a white solid. (NTP, 1992)

White solid; [CAMEO] White powder; [Alfa Aesar MSDS]

Solid

Collision Cross Section · 2건

151.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0046989]

142.6 Ų [M-H]-

물리화학적 성질

녹는점
282 · 282-285 °C (dec.)(lit.)
끓는 점
342.72 °C · 342.72°C (rough estimate)
밀도
1.1754 · 1.1754 (rough estimate)
굴절률
31 ° · 31 ° (C=1, H2O)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.

Warning

H315 (12.5%): Causes skin irritation [Warning Skin corrosion/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 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationD-Tryptophan: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Hazards SummaryCauses altered sleep time (including change in righting reflex), dyspnea, and decreased body temperature in intraperitoneal lethal-dose studies of rats (LD50 = 4,289 mg/kg); [RTECS] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupSalts, Acidic
Reactivity Profile · 1건

Acidic salts, such as D(+)-TRYPTOPHAN, are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.

Air and Water ReactionsSlightly soluble in water.

화학 및 산업

용도 및 제조

UsesTryptophan is an essential amino acid; [Merck Index] Used as a dietary supplement and for nutrition research; [NTP]
General Manufacturing InformationD-Tryptophan: ACTIVE

응용 분야

용도An essential amino acid found in naturally produced pedtides. Unlike its stereoisomer, L-tryptophan, it is not used in structural or enzyme proteins.

일반 설명White solid.

상·하류 제품 정보

상류 원료

클로로아세틸 무수물DL-트립토판N-Acetyl-D-tryptophanL-트립토판

하류 제품

13(S)-HYDROXYOCTADECA-9Z,11E-디엔산N-Cbz-D-TryptophanD-Tryptophan, N-(phenylmethyl)-벤젠부탄산,a,2-diaMino-g-oxo-,(R)-,황산염H-D-Trp-OEt.HClZ-GLY-D-TRP-오

추가 설명

관련 반응

53건
반응 기록 만들기
HRID 41850 반응식
HRID 41850반응물로uspto-grants-2013_09
HRID 69826 반응식
HRID 69826반응물로uspto-grants-2014_09
HRID 128838 반응식
HRID 128838반응물로uspto-grants-1995_11
HRID 219510 반응식
HRID 219510반응물로uspto-grants-2012_06
HRID 254045 반응식
HRID 254045반응물로uspto-grants-2011_01
HRID 361560 반응식
HRID 361560반응물로uspto-grants-1999_02
HRID 369203 반응식
HRID 369203반응물로uspto-grants-2000_10
HRID 373110 반응식
HRID 373110반응물로uspto-grants-1992_11
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
용해도
수성 염기(약간 용해됨), DMSO(약간 용해됨, 가열, 초음파 처리), 메탄올(약간 용해됨)
산도 계수 (pKa)
2.3 · 2.30±0.10(Predicted)
물리적 상태
가루
색상
흰색에서 약간 노란색
생물학적 소스
synthetic (organic)
수용성
11 g/L · 11 g/L (20 ºC)
BRN
86198 · 86198
안정성
안정적인. 산화제와 호환되지 않습니다.
InChI
1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1
InChIKey
QIVBCDIJIAJPQS-SECBINFHSA-N
SMILES
N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
LogP
0.704 · 0.704 (est)
EPA
D-Tryptophan (153-94-6)

화학적 성질

white powder

Hazard Classes and CategoriesSkin Irrit. 2 (12.5%)

안전 및 보호

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
YN6129000
HS 번호
29339990
risk_code
36/37/38-41-37/38-22
hazard_code
Xi
safety_code
24/25-36/37/39-36-26
위험 등급
IRRITANT
F 고인화성물질
8
스토리지 클래스
11 - Combustible Solids

정의ChEBI: The D-enantiomer of tryptophan.