기본 정보
- 표준 SMILES
NC(CO)C(=O)O- InChIKey
MTCFGRXMJLQNBG-UHFFFAOYSA-N- 분자식
- C3H7NO3
- 평균 분자량
- 105.09 g/mol
- 단동위원소 질량
- 105.04259309
이름 및 식별자
- 우선 이름
- DL-Serine
- IUPAC
- 2-amino-3-hydroxypropanoic acid
- 현지명
- DL-세린
- 영어명
- DL-Serine
- 분자식
- C3H7NO3
- 분자량
- 105.09
이름 및 동의어
DL-Serine302-84-1Serine, DL-00PAR1C66FNSC-9960DTXSID70859325NSC99602-azaniumyl-3-hydroxypropanoateSerine DL-RefChem:1083916DTXCID20202802206-130-6
이름 더 보기
DL-세린SERINEserinDL-SER2-AMINO-3-HYDROXY-PROPIONIC ACIDDL-SerinDL-Ser-OHDL-SERINE,FCC
2-Amino-3-hydroxypropanoic acidSerine DL-formH-DL-Ser-OHSERINE, (L)d,l-serineL-Serine-2-13c-15N2-amino-3-hydroxy-propanoic acidDL-2-Amino-3-hydroxypropionic Acid
데이터베이스 식별자
- CAS
302-84-1、312-84-5、56-45-1- PubChem CID
- 617
- DTXSID
DTXSID70859325- ChEBI
CHEBI:17822- UNII
- 00PAR1C66F
- EC Number
- 206-130-6
- Nikkaji
- J1.277G
물성
구조 계산 물성
- XLogP
- -3.1
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 72
실험 및 물리화학적 성질
Physical DescriptionSolid; [Merck Index] Beige crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 240 °C · 240 °C (dec.) (lit.)
- 끓는 점
- 197.09 °C · 197.09°C (rough estimate)
- 밀도
- 1.53 · 1.53
- 굴절률
- 1.4368 · 1.4368 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 2 O: · H2O: 용해성
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 2.19 · 2.19(at 25℃)
- 색상
- 하얀색
- 냄새
- 냄새 없는
- 수용성
- 50.23 g/L · 50.23g/L(25℃)
- Merck
- 14 · 14,8460
- BRN
- 1721402 · 1721402
- Henry's Law Constant
- 3.9 · 3.9×1010 mol/(m3Pa) at 25℃, Saxena and Hildemann (1996)
- 화장품 원료 기능
- 향기헤어 컨디셔닝대전방지제피부 컨디셔닝
- InChI
- 1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
- InChIKey
- MTCFGRXMJLQNBG-UHFFFAOYSA-N
- SMILES
- NC(CO)C(O)=O
- LogP
- -3.46 · -3.460
- NIST
- DL-Serine(302-84-1)
- EPA
- Serine (302-84-1)
화학적 성질
DL-Serine is a kind of colorless monoclinic columnar or lamellae crystal. It is soluble in water (at 20℃, the water solubility is 380g/L), insoluble in ether and ethanol; Decomposition point: 246℃.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.6% (261 of 262) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 261 of 262 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 262 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 261 of 262 reports by companies.；There is 1 notification provided by 1 of 262 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
Regulatory Information
Chemical: DL-Serine
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 12-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21820
Serine: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - DL-Serine: Environment tier I assessment；Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See L-Serine.
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory Information
Chemical: DL-Serine
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 12-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21820
Serine: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VT8100000
- HS 번호
- 29225000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 기존화학 물질
- KE-30933
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesA non-essential amino acid; [Merck Index]
General Manufacturing InformationSerine: ACTIVE
응용 분야
개요DL-Serine is a kind of neutral aliphatic amino acids containing hydroxyl groups with polarity but being uncharged, and belongs to nonessential amino acids for human body. It has a high content in sericin silk protein and fibroin protein. It can be formed from the methyl transfer reaction of glycine. It can also be converted to pyruvate or hydroxy pyruvate through deamination. It is also an important raw material for in vivo synthesis of choline and cysteine.
용도DL-Serine is used in the synthesis of novel tryptoline derivatives as IDO (indoleamine 2,3-Deoxygenase) inhibitors, for potential use in Alzheimer’s treatment.
제조 방법
DL-serine is obtained by complexing glycine under the catalysis of copper ions and then combining with formaldehyde under alkaline conditions, followed by acidification, ion exchange, and crystallization in ethanol.
상·하류 제품 정보
상류 원료
하류 제품
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추가 설명
정의ChEBI: Serine is an alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. It has a role as a fundamental metabolite. It is an alpha-amino acid and a polar amino acid. It contains a hydroxymethyl group. It is a conjugate base of a serinium. It is a conjugate acid of a serinate. It is a tautomer of a serine zwitterion.
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