基本情報
- 標準SMILES
N[C@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
QIVBCDIJIAJPQS-SECBINFHSA-N- 分子式
- C11H12N2O2
- 平均分子量
- 204.22 g/mol
- 単同位体質量
- 204.08987762
概要
D(+)-tryptophan is a white solid. (NTP, 1992)
名称と識別子
- 優先名称
- D-Tryptophan
- IUPAC
- (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
- 現地名
- D-トリプトファン
- 英語名
- D-Tryptophan
- 分子式
- C11H12N2O2
- 分子量
- 204.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
153-94-6- PubChem CID
- 9060
- DTXSID
DTXSID0046989- ChEMBL
CHEMBL292303- ChEBI
CHEBI:16296- UNII
- 7NS97N9H1G
- EC Number
- 205-819-9
- Nikkaji
- J9.185E
物性
構造計算による物性
- XLogP
- -1.1
- 極性表面積
- 79.1 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 245
実験および物理化学的性質
Melting Point
527 to 540 °F (NTP, 1992)
282-85 dec °C
282 - 85 °C
Physical Description
D(+)-tryptophan is a white solid. (NTP, 1992)
White solid; [CAMEO] White powder; [Alfa Aesar MSDS]
Solid
Collision Cross Section
151.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0046989]
142.6 Ų [M-H]-
物理化学的性質
- 融点
- 282 · 282-285 °C (dec.)(lit.)
- 比旋光度
- 31.5 · 31.5 º (c=1, H2O 24 ºC)
- 沸点
- 342.72 °C · 342.72°C (rough estimate)
- 比重(密度)
- 1.1754 · 1.1754 (rough estimate)
- 屈折率
- 31 ° · 31 ° (C=1, H2O)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 水ベース (マイルド)、DMSO (マイルド、加熱、超音波処理)、メタノール (マイルド)
- 酸解離定数(Pka)
- 2.3 · 2.30±0.10(Predicted)
- 外見
- 粉
- 色
- 白色~やや黄色
- 由来生物
- synthetic (organic)
- 水溶解度
- 11 g/L · 11g/L(20℃)
- BRN
- 86198 · 86198
- 安定性
- 安定。酸化剤と相容れない。
- 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)
- CAS データベース
- 153 · 153-94-6(CAS DataBase Reference)
- EPAの化学物質情報
- D-Tryptophan (153-94-6)
化学的性質
化学的特性white powder
安全と法規制
GHS分類
GHS Classification
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.
危険有害性情報
Reactivity Profile
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.
安全と保護具
First Aid
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
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)
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)
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YN6129000
- hs_code
- 29339990
- risk_code
- 36/37/38-41-37/38-22
- 化審法
- (9)-869 届出不要化学物質
- hazard_code
- Xi
- safety_code
- 24/25-36/37/39-36-26
- hazard_class
- IRRITANT
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
使用An essential amino acid found in naturally produced pedtides. Unlike its stereoisomer, L-tryptophan, it is not used in structural or enzyme proteins.
一般的な説明White solid.
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: The D-enantiomer of tryptophan.
関連反応
関連ノート
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